VMD-L Mailing List
From: Adrain Koh (kohsj_at_ihpc.a-star.edu.sg)
Date: Tue Nov 09 2004 - 21:43:52 CST
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Dear Sir,
With reference to a message posted earlier, I've attached a .txt
trajectory file for conversion. I have referred to the website
suggested but do not have an idea how to create an equivalent .xyz
trajectory file. Seeking some advice from you. Thanks!
Adrian.
! Copyright Comments
!
# Simulated by : CSM_at_IHPC.Singapore
# Date : Wed Nov 3 12:30:50 2004
#
# Model Name : Platium Nanowire
# Number of Atoms : 360
# Task : Simulated Stretching
!
! ===========================
! Frame 0000
! ===========================
!
! Mom & Angular mom: -.22E-16 -.41E-16 .20E-17 -.23E-13 .24E-13 -.16E-13
! Center: -.8388352E-16 .3898116E-15 14.76533
! Peng,Keng,TOTeng: .0000000E+00 6.463764 6.463764
! tempr,rms_dis: 50.00000 .0000000E+00
! fmax,frms: .0000000E+00 .0000000E+00
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0001
! ===========================
!
! Mom & Angular mom: .74E-16 -.82E-16 .96E-16 -6.4 -3.1 -.18E-04
! Center: .2166168E-14 -.2074883E-14 14.76533
! Peng,Keng,TOTeng: -5562.648 9.409716 -5553.238
! tempr,rms_dis: 72.78821 .1221517
! fmax,frms: 27.78691 13.89763
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0002
! ===========================
!
! Mom & Angular mom: .23E-15 -.96E-18 -.20E-16 4.0 39. .22E-04
! Center: .7975102E-14 -.2639864E-14 14.76533
! Peng,Keng,TOTeng: -5564.093 7.057164 -5557.036
! tempr,rms_dis: 54.59021 .1251000
! fmax,frms: 24.84562 11.65534
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0003
! ===========================
!
! Mom & Angular mom: .32E-15 -.65E-16 -.13E-15 12. 35. .15E-04
! Center: .1702465E-13 -.3355341E-14 14.76533
! Peng,Keng,TOTeng: -5563.404 6.683817 -5556.720
! tempr,rms_dis: 51.70220 .1539692
! fmax,frms: 25.18077 10.85436
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0004
! ===========================
!
! Mom & Angular mom: .35E-15 -.92E-16 -.20E-15 44. 15. -.14E-04
! Center: .2566712E-13 -.6264125E-14 14.76533
! Peng,Keng,TOTeng: -5562.257 6.616625 -5555.641
! tempr,rms_dis: 51.18244 .1747587
! fmax,frms: 24.24795 11.02612
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0005
! ===========================
!
! Mom & Angular mom: .22E-15 -.12E-16 -.21E-15 18. -34. -.11E-04
! Center: .3598356E-13 -.8714017E-14 14.76533
! Peng,Keng,TOTeng: -5560.898 6.635959 -5554.262
! tempr,rms_dis: 51.33200 .2011078
! fmax,frms: 24.81528 11.41766
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0006
! ===========================
!
! Mom & Angular mom: .33E-15 .95E-17 -.18E-15 2.0 -16. .22E-04
! Center: .4360709E-13 -.9515845E-14 14.76533
! Peng,Keng,TOTeng: -5559.386 6.666873 -5552.720
! tempr,rms_dis: 51.57113 .2266835
! fmax,frms: 26.85817 11.62378
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0007
! ===========================
!
! Mom & Angular mom: .13E-15 -.52E-16 -.16E-15 17. 14. -.40E-04
! Center: .5081737E-13 -.1119845E-13 14.76533
! Peng,Keng,TOTeng: -5557.804 6.661886 -5551.142
! tempr,rms_dis: 51.53256 .2399422
! fmax,frms: 25.14867 11.47719
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0008
! ===========================
!
! Mom & Angular mom: .50E-16 .34E-16 -.13E-15 -36. 9.6 .70E-05
! Center: .5349301E-13 -.1407516E-13 14.76533
! Peng,Keng,TOTeng: -5555.960 6.688516 -5549.271
! tempr,rms_dis: 51.73856 .2722620
! fmax,frms: 25.75021 11.57552
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0009
! ===========================
!
! Mom & Angular mom: .42E-16 .10E-15 .20E-16 -30. 15. -.16E-04
! Center: .5456623E-13 -.1167955E-13 14.76533
! Peng,Keng,TOTeng: -5554.027 6.656682 -5547.370
! tempr,rms_dis: 51.49230 .3001075
! fmax,frms: 24.85368 11.37413
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0010
! ===========================
!
! Mom & Angular mom: -.11E-15 .43E-16 .16E-15 29. 13. .24E-04
! Center: .5352262E-13 -.9261727E-14 14.76533
! Peng,Keng,TOTeng: -5551.911 6.621444 -5545.289
! tempr,rms_dis: 51.21972 .3370069
! fmax,frms: 24.09710 12.02022
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0011
! ===========================
!
! Mom & Angular mom: -.10E-15 .13E-15 .16E-15 -.67 3.6 -.68E-05
! Center: .5003158E-13 -.4825769E-14 14.76533
! Peng,Keng,TOTeng: -5549.714 6.626524 -5543.088
! tempr,rms_dis: 51.25902 .3822342
! fmax,frms: 25.77507 11.41168
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0012
! ===========================
!
! Mom & Angular mom: -.82E-16 .21E-15 .17E-16 15. 14. -.28E-04
! Center: .4505902E-13 .5427757E-16 14.76533
! Peng,Keng,TOTeng: -5547.383 6.667220 -5540.716
! tempr,rms_dis: 51.57382 .4374838
! fmax,frms: 24.60325 11.69678
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0013
! ===========================
!
! Mom & Angular mom: -.64E-16 .21E-15 .17E-15 9.4 63. .17E-04
! Center: .4577326E-13 .5773160E-14 14.76533
! Peng,Keng,TOTeng: -5544.937 6.674644 -5538.262
! tempr,rms_dis: 51.63125 .4883286
! fmax,frms: 26.22497 11.17574
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0014
! ===========================
!
! Mom & Angular mom: .70E-16 .25E-15 .24E-15 20. 28. .68E-05
! Center: .4711170E-13 .1068035E-13 14.76533
! Peng,Keng,TOTeng: -5542.253 6.670418 -5535.583
! tempr,rms_dis: 51.59856 .5310720
! fmax,frms: 23.09523 10.82665
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0015
! ===========================
!
! Mom & Angular mom: .77E-16 .46E-15 .22E-15 32. 24. -.37E-04
! Center: .4687362E-13 .2031461E-13 14.76533
! Peng,Keng,TOTeng: -5539.474 6.622629 -5532.851
! tempr,rms_dis: 51.22889 .5618693
! fmax,frms: 24.56372 11.44791
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0016
! ===========================
!
! Mom & Angular mom: .45E-17 .32E-15 .12E-15 11. -18. -.47E-04
! Center: .4864134E-13 .3167096E-13 14.76533
! Peng,Keng,TOTeng: -5536.564 6.622198 -5529.942
! tempr,rms_dis: 51.22555 .5827231
! fmax,frms: 21.48389 11.13859
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0017
! ===========================
!
! Mom & Angular mom: -.25E-16 .31E-15 .11E-15 -9.0 59. -.12E-04
! Center: .4840942E-13 .4058729E-13 14.76533
! Peng,Keng,TOTeng: -5533.532 6.598014 -5526.934
! tempr,rms_dis: 51.03848 .6132178
! fmax,frms: 26.37821 11.85567
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0018
! ===========================
!
! Mom & Angular mom: -.11E-16 .26E-15 -.15E-15 -18. -1.2 -.29E-04
! Center: .4865984E-13 .4922235E-13 14.76533
! Peng,Keng,TOTeng: -5530.406 6.608328 -5523.797
! tempr,rms_dis: 51.11827 .6480576
! fmax,frms: 30.19029 11.43750
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0019
! ===========================
!
! Mom & Angular mom: .77E-16 .26E-15 -.20E-15 10.0 -24. -.11E-04
! Center: .5168705E-13 .5693964E-13 14.76533
! Peng,Keng,TOTeng: -5527.166 6.588738 -5520.577
! tempr,rms_dis: 50.96673 .6968100
! fmax,frms: 25.61081 11.68902
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0020
! ===========================
!
! Mom & Angular mom: -.15E-15 .28E-15 -.13E-15 -2.8 33. -.26E-04
! Center: .5142800E-13 .6730665E-13 14.76533
! Peng,Keng,TOTeng: -5523.790 6.602149 -5517.188
! tempr,rms_dis: 51.07047 .7394647
! fmax,frms: 27.40732 11.91640
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0021
! ===========================
!
! Mom & Angular mom: -.59E-16 .30E-15 .11E-15 61. -13. .79E-05
! Center: .4910763E-13 .7787598E-13 14.76533
! Peng,Keng,TOTeng: -5535.357 10.10290 -5525.254
! tempr,rms_dis: 78.15031 1.214228
! fmax,frms: 30.69093 14.83240
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0022
! ===========================
!
! Mom & Angular mom: .51E-16 .12E-15 .30E-16 94. 86. .37E-04
! Center: .4698464E-13 .8672816E-13 14.76533
! Peng,Keng,TOTeng: -5540.689 8.497333 -5532.191
! tempr,rms_dis: 65.73053 1.360512
! fmax,frms: 30.59106 12.99469
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0023
! ===========================
!
! Mom & Angular mom: .91E-16 .14E-15 -.10E-16 -53. -6.9 -.33E-04
! Center: .4747560E-13 .9083598E-13 14.76533
! Peng,Keng,TOTeng: -5543.272 7.156110 -5536.116
! tempr,rms_dis: 55.35559 1.438554
! fmax,frms: 30.85655 12.72706
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0024
! ===========================
!
! Mom & Angular mom: -.93E-17 .18E-15 .60E-16 76. -87. -.50E-05
! Center: .4908419E-13 .9534349E-13 14.76533
! Peng,Keng,TOTeng: -5543.106 6.742484 -5536.363
! tempr,rms_dis: 52.15602 1.465974
! fmax,frms: 28.12070 12.21369
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0025
! ===========================
!
! Mom & Angular mom: -.66E-16 .26E-15 .21E-16 -20. 7.4 -.23E-05
! Center: .4675519E-13 .1024736E-12 14.76533
! Peng,Keng,TOTeng: -5542.449 6.719184 -5535.730
! tempr,rms_dis: 51.97578 1.478642
! fmax,frms: 24.72929 11.46953
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0026
! ===========================
!
! Mom & Angular mom: -.21E-15 .23E-15 .72E-17 70. -51. .67E-05
! Center: .4571775E-13 .1108200E-12 14.76533
! Peng,Keng,TOTeng: -5541.681 6.687191 -5534.993
! tempr,rms_dis: 51.72830 1.526006
! fmax,frms: 23.05340 11.53863
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0027
! ===========================
!
! Mom & Angular mom: -.21E-15 .60E-16 -.75E-16 -50. -23. .37E-04
! Center: .3934014E-13 .1122658E-12 14.76533
! Peng,Keng,TOTeng: -5540.743 6.657851 -5534.085
! tempr,rms_dis: 51.50134 1.572529
! fmax,frms: 26.50425 11.94809
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0028
! ===========================
!
! Mom & Angular mom: -.27E-15 .27E-16 .58E-16 97. 36. -.43E-04
! Center: .3176842E-13 .1132699E-12 14.76533
! Peng,Keng,TOTeng: -5539.745 6.667259 -5533.077
! tempr,rms_dis: 51.57412 1.603509
! fmax,frms: 26.90324 11.91033
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0029
! ===========================
!
! Mom & Angular mom: -.32E-15 -.51E-16 -.11E-17 -25. -16. -.28E-04
! Center: .2261524E-13 .1154854E-12 14.76533
! Peng,Keng,TOTeng: -5539.986 7.008762 -5532.977
! tempr,rms_dis: 54.21580 1.722746
! fmax,frms: 30.60601 12.27066
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0030
! ===========================
!
! Mom & Angular mom: -.47E-15 -.72E-16 .13E-15 -35. 41. -.39E-05
! Center: .6769893E-14 .1141038E-12 14.76533
! Peng,Keng,TOTeng: -5539.502 6.711902 -5532.790
! tempr,rms_dis: 51.91946 1.743701
! fmax,frms: 28.51148 11.88316
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0031
! ===========================
!
! Mom & Angular mom: -.50E-15 -.92E-16 .10E-15 -20. -32. .27E-04
! Center: -.7378049E-14 .1124434E-12 14.76533
! Peng,Keng,TOTeng: -5539.216 6.832373 -5532.383
! tempr,rms_dis: 52.85135 1.820773
! fmax,frms: 28.90998 11.74903
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0032
! ===========================
!
! Mom & Angular mom: -.43E-15 -.11E-15 .90E-16 -22. -83. -.33E-04
! Center: -.2066989E-13 .1097418E-12 14.76533
! Peng,Keng,TOTeng: -5538.533 6.691555 -5531.841
! tempr,rms_dis: 51.76206 1.857710
! fmax,frms: 26.69402 11.58828
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0033
! ===========================
!
! Mom & Angular mom: -.34E-15 -.28E-15 .13E-16 34. 37. -.12E-04
! Center: -.3300940E-13 .1039465E-12 14.76533
! Peng,Keng,TOTeng: -5537.695 6.714503 -5530.981
! tempr,rms_dis: 51.93957 1.883174
! fmax,frms: 24.58247 11.70441
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0034
! ===========================
!
! Mom & Angular mom: -.28E-15 -.22E-15 -.55E-16 -34. -52. -.98E-05
! Center: -.4305445E-13 .9731722E-13 14.76533
! Peng,Keng,TOTeng: -5536.630 6.659752 -5529.971
! tempr,rms_dis: 51.51605 1.910217
! fmax,frms: 25.35558 11.50438
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0035
! ===========================
!
! Mom & Angular mom: -.22E-15 -.22E-15 .19E-15 -9.1 -1.6 -.15E-04
! Center: -.5434048E-13 .9153912E-13 14.76533
! Peng,Keng,TOTeng: -5535.371 6.675020 -5528.696
! tempr,rms_dis: 51.63415 1.950230
! fmax,frms: 26.53323 11.21672
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0036
! ===========================
!
! Mom & Angular mom: -.38E-15 -.26E-15 .23E-15 -1.4 -8.6 -.14E-04
! Center: -.6450396E-13 .8623226E-13 14.76533
! Peng,Keng,TOTeng: -5534.086 6.664855 -5527.421
! tempr,rms_dis: 51.55552 1.972980
! fmax,frms: 23.47947 11.62709
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0037
! ===========================
!
! Mom & Angular mom: -.19E-15 -.33E-15 .21E-15 -30. -59. .13E-05
! Center: -.7378666E-13 .7740228E-13 14.76533
! Peng,Keng,TOTeng: -5533.488 6.841319 -5526.646
! tempr,rms_dis: 52.92055 2.082000
! fmax,frms: 28.65436 11.68570
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0038
! ===========================
!
! Mom & Angular mom: .62E-17 -.29E-15 .14E-15 -5.8 -88. -.10E-04
! Center: -.7724315E-13 .6637653E-13 14.76533
! Peng,Keng,TOTeng: -5532.284 6.641672 -5525.642
! tempr,rms_dis: 51.37619 2.097479
! fmax,frms: 22.99202 11.43674
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0039
! ===========================
!
! Mom & Angular mom: .23E-16 -.27E-15 .12E-15 -18. 7.2 -.11E-04
! Center: -.7543349E-13 .6025797E-13 14.76533
! Peng,Keng,TOTeng: -5532.531 7.717951 -5524.813
! tempr,rms_dis: 59.70168 2.123526
! fmax,frms: 26.76005 12.53255
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0040
! ===========================
!
! Mom & Angular mom: .27E-16 -.37E-15 -.32E-16 -28. -59. -.18E-04
! Center: -.7686814E-13 .5123062E-13 14.76533
! Peng,Keng,TOTeng: -5533.057 6.869073 -5526.188
! tempr,rms_dis: 53.13524 2.216647
! fmax,frms: 25.24030 11.66336
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0041
! ===========================
!
! Mom & Angular mom: .64E-16 -.47E-15 .85E-16 -46. 7.5 -.19E-04
! Center: -.7538908E-13 .3903544E-13 14.76533
! Peng,Keng,TOTeng: -5531.939 6.683103 -5525.256
! tempr,rms_dis: 51.69668 2.265391
! fmax,frms: 27.04642 11.62387
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0042
! ===========================
!
! Mom & Angular mom: .71E-16 -.55E-15 .73E-16 6.4 19. .40E-04
! Center: -.7513126E-13 .2243637E-13 14.76533
! Peng,Keng,TOTeng: -5530.530 6.653465 -5523.877
! tempr,rms_dis: 51.46742 2.276372
! fmax,frms: 26.99041 11.66128
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0043
! ===========================
!
! Mom & Angular mom: .15E-15 -.33E-15 .95E-16 -19. -28. -.36E-04
! Center: -.6996132E-13 .1132674E-13 14.76533
! Peng,Keng,TOTeng: -5530.971 6.960182 -5524.011
! tempr,rms_dis: 53.84001 2.482384
! fmax,frms: 28.80313 11.66977
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0044
! ===========================
!
! Mom & Angular mom: .13E-15 -.30E-15 .81E-16 -1.5 -61. .20E-05
! Center: -.6678608E-13 -.1176836E-14 14.76533
! Peng,Keng,TOTeng: -5530.075 6.703586 -5523.371
! tempr,rms_dis: 51.85513 2.523238
! fmax,frms: 26.99498 11.09068
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0045
! ===========================
!
! Mom & Angular mom: .13E-15 -.11E-15 -.90E-16 10.0 -.88 -.16E-04
! Center: -.6277078E-13 -.8524046E-14 14.76533
! Peng,Keng,TOTeng: -5529.049 6.647824 -5522.401
! tempr,rms_dis: 51.42378 2.545054
! fmax,frms: 27.13821 11.50154
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0046
! ===========================
!
! Mom & Angular mom: .20E-15 -.16E-15 -.15E-15 -8.9 -17. -.14E-04
! Center: -.5772420E-13 -.1465001E-13 14.76533
! Peng,Keng,TOTeng: -5527.850 6.658453 -5521.191
! tempr,rms_dis: 51.50600 2.588494
! fmax,frms: 26.86302 12.05518
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0047
! ===========================
!
! Mom & Angular mom: .17E-15 -.15E-15 -.13E-15 -4.7 20. -.29E-04
! Center: -.5085808E-13 -.1880718E-13 14.76533
! Peng,Keng,TOTeng: -5526.576 6.651398 -5519.925
! tempr,rms_dis: 51.45143 2.627555
! fmax,frms: 28.89335 11.44425
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0048
! ===========================
!
! Mom & Angular mom: .96E-16 .56E-16 -.11E-15 35. 26. .15E-05
! Center: -.4498994E-13 -.2096101E-13 14.76533
! Peng,Keng,TOTeng: -5529.610 7.446697 -5522.164
! tempr,rms_dis: 57.60341 2.769418
! fmax,frms: 28.49812 12.34464
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0049
! ===========================
!
! Mom & Angular mom: .12E-15 .24E-16 -.95E-16 -27. -28. .82E-06
! Center: -.4269424E-13 -.2117319E-13 14.76533
! Peng,Keng,TOTeng: -5529.667 6.793837 -5522.873
! tempr,rms_dis: 52.55325 2.800759
! fmax,frms: 24.44120 11.64213
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0050
! ===========================
!
! Mom & Angular mom: .27E-16 .61E-16 .16E-16 -8.4 31. -.31E-04
! Center: -.3984590E-13 -.2051199E-13 14.76533
! Peng,Keng,TOTeng: -5529.022 6.699772 -5522.322
! tempr,rms_dis: 51.82562 2.829105
! fmax,frms: 29.31782 11.72993
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0051
! ===========================
!
! Mom & Angular mom: -.40E-16 .89E-16 -.98E-17 5.2 -16. .70E-05
! Center: -.4097340E-13 -.1886639E-13 14.76533
! Peng,Keng,TOTeng: -5528.239 6.697330 -5521.542
! tempr,rms_dis: 51.80673 2.860645
! fmax,frms: 24.49630 12.18061
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0052
! ===========================
!
! Mom & Angular mom: -.32E-16 .79E-16 -.18E-15 58. 18. -.13E-04
! Center: -.4204908E-13 -.1550858E-13 14.76533
! Peng,Keng,TOTeng: -5527.325 6.686142 -5520.639
! tempr,rms_dis: 51.72019 2.900382
! fmax,frms: 28.25397 11.82599
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0053
! ===========================
!
! Mom & Angular mom: .23E-16 .41E-16 -.23E-16 -6.8 3.6 -.25E-04
! Center: -.4037881E-13 -.1462287E-13 14.76533
! Peng,Keng,TOTeng: -5526.314 6.695516 -5519.618
! tempr,rms_dis: 51.79270 2.930530
! fmax,frms: 24.99982 11.49132
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0054
! ===========================
!
! Mom & Angular mom: -.70E-16 .71E-16 -.61E-16 5.2 -55. -.51E-05
! Center: -.4167531E-13 -.1251345E-13 14.76533
! Peng,Keng,TOTeng: -5525.259 6.677767 -5518.581
! tempr,rms_dis: 51.65540 2.987155
! fmax,frms: 25.85593 11.73284
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0055
! ===========================
!
! Mom & Angular mom: .20E-16 .18E-16 .99E-16 12. -74. -.10E-04
! Center: -.4160376E-13 -.1123052E-13 14.76533
! Peng,Keng,TOTeng: -5524.125 6.627240 -5517.498
! tempr,rms_dis: 51.26456 3.024461
! fmax,frms: 25.94599 11.72711
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0056
! ===========================
!
! Mom & Angular mom: .62E-18 -.67E-16 .12E-15 60. -37. -.85E-05
! Center: -.4136568E-13 -.1291559E-13 14.76533
! Peng,Keng,TOTeng: -5522.945 6.643888 -5516.301
! tempr,rms_dis: 51.39333 3.076568
! fmax,frms: 25.28164 11.74134
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0057
! ===========================
!
! Mom & Angular mom: .20E-16 -.12E-15 .90E-16 55. -.13E+03 -.15E-04
! Center: -.4133484E-13 -.1778577E-13 14.76533
! Peng,Keng,TOTeng: -5522.187 6.734038 -5515.453
! tempr,rms_dis: 52.09069 3.154714
! fmax,frms: 25.36402 12.11225
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0058
! ===========================
!
! Mom & Angular mom: -.92E-16 -.16E-15 .22E-16 14. -30. .86E-05
! Center: -.4390315E-13 -.2150379E-13 14.76533
! Peng,Keng,TOTeng: -5521.110 6.677935 -5514.432
! tempr,rms_dis: 51.65671 3.201927
! fmax,frms: 25.44530 11.43571
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0059
! ===========================
!
! Mom & Angular mom: .45E-16 -.27E-15 -.64E-16 -50. 55. -.40E-05
! Center: -.4407585E-13 -.2881152E-13 14.76533
! Peng,Keng,TOTeng: -5519.856 6.640048 -5513.216
! tempr,rms_dis: 51.36363 3.218535
! fmax,frms: 27.89971 11.58412
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0060
! ===========================
!
! Mom & Angular mom: .60E-16 -.25E-15 -.32E-16 -2.5 -.10E+03 .11E-06
! Center: -.4138295E-13 -.3768590E-13 14.76533
! Peng,Keng,TOTeng: -5520.582 7.025321 -5513.557
! tempr,rms_dis: 54.34388 3.430419
! fmax,frms: 26.10754 11.44324
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0061
! ===========================
!
! Mom & Angular mom: .35E-16 -.20E-15 -.17E-16 -41. -30. -.19E-04
! Center: -.4019994E-13 -.4546240E-13 14.54930
! Peng,Keng,TOTeng: -5520.330 6.783684 -5513.547
! tempr,rms_dis: 52.47472 3.516516
! fmax,frms: 23.84119 12.02266
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0062
! ===========================
!
! Mom & Angular mom: .13E-15 -.10E-15 .13E-15 51. 55. -.36E-05
! Center: -.3599096E-13 -.4929884E-13 14.54930
! Peng,Keng,TOTeng: -5519.857 6.683227 -5513.174
! tempr,rms_dis: 51.69764 3.576450
! fmax,frms: 22.97780 11.84808
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0063
! ===========================
!
! Mom & Angular mom: .15E-15 -.12E-15 .21E-15 -31. 35. .23E-04
! Center: -.3218783E-13 -.5381374E-13 14.65801
! Peng,Keng,TOTeng: -5519.136 6.672200 -5512.464
! tempr,rms_dis: 51.61234 3.628355
! fmax,frms: 23.05730 11.23283
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0064
! ===========================
!
! Mom & Angular mom: .33E-16 -.28E-16 -.88E-17 -2.5 -33. .63E-05
! Center: -.3068410E-13 -.5470439E-13 14.54895
! Peng,Keng,TOTeng: -5518.272 6.667766 -5511.604
! tempr,rms_dis: 51.57804 3.667130
! fmax,frms: 26.75258 11.54344
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0065
! ===========================
!
! Mom & Angular mom: -.14E-16 -.79E-17 -.27E-16 59. 15. .12E-04
! Center: -.3034240E-13 -.5376933E-13 14.65836
! Peng,Keng,TOTeng: -5517.423 6.660110 -5510.763
! tempr,rms_dis: 51.51882 3.719484
! fmax,frms: 27.51043 11.67117
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0066
! ===========================
!
! Mom & Angular mom: -.53E-16 -.20E-17 .15E-15 29. 51. .13E-04
! Center: -.3346212E-13 -.5461310E-13 14.54860
! Peng,Keng,TOTeng: -5516.561 6.624673 -5509.936
! tempr,rms_dis: 51.24470 3.770404
! fmax,frms: 27.07493 11.68370
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0067
! ===========================
!
! Mom & Angular mom: -.50E-16 -.76E-16 .21E-15 -39. 34. -.22E-04
! Center: -.3576892E-13 -.5399138E-13 14.65871
! Peng,Keng,TOTeng: -5515.601 6.633485 -5508.968
! tempr,rms_dis: 51.31287 3.826251
! fmax,frms: 30.92940 11.31659
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0068
! ===========================
!
! Mom & Angular mom: -.74E-16 -.50E-16 -.45E-17 -.14E+03 62. .14E-04
! Center: -.3643629E-13 -.5464024E-13 14.76917
! Peng,Keng,TOTeng: -5515.429 7.065771 -5508.363
! tempr,rms_dis: 54.65678 3.872485
! fmax,frms: 28.19401 11.88481
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0069
! ===========================
!
! Mom & Angular mom: -.66E-16 .64E-16 -.18E-15 5.0 5.6 -.72E-05
! Center: -.4065143E-13 -.5398151E-13 14.76917
! Peng,Keng,TOTeng: -5516.932 7.056373 -5509.875
! tempr,rms_dis: 54.58408 4.009814
! fmax,frms: 27.01944 12.63363
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0070
! ===========================
!
! Mom & Angular mom: -.45E-16 -.85E-16 -.26E-15 -72. 83. -.17E-04
! Center: -.4139652E-13 -.5459090E-13 14.76917
! Peng,Keng,TOTeng: -5517.435 6.809778 -5510.626
! tempr,rms_dis: 52.67656 4.101825
! fmax,frms: 25.31143 11.71994
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0071
! ===========================
!
! Mom & Angular mom: -.44E-16 -.60E-16 -.20E-15 -3.0 -71. .47E-05
! Center: -.4325182E-13 -.5644374E-13 14.88067
! Peng,Keng,TOTeng: -5517.227 6.675867 -5510.551
! tempr,rms_dis: 51.64070 4.156438
! fmax,frms: 28.30198 11.55671
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0072
! ===========================
!
! Mom & Angular mom: -.11E-15 .38E-17 -.39E-18 29. -35. -.85E-05
! Center: -.4370701E-13 -.5773160E-13 14.76882
! Peng,Keng,TOTeng: -5516.834 6.673796 -5510.160
! tempr,rms_dis: 51.62469 4.200506
! fmax,frms: 26.75877 11.39687
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0073
! ===========================
!
! Mom & Angular mom: -.17E-15 .17E-16 -.41E-16 -60. 22. -.16E-04
! Center: -.4620625E-13 -.6072673E-13 14.76882
! Peng,Keng,TOTeng: -5516.380 6.684084 -5509.696
! tempr,rms_dis: 51.70427 4.252174
! fmax,frms: 26.21976 11.45673
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0074
! ===========================
!
! Mom & Angular mom: -.13E-15 -.15E-15 .29E-16 9.0 -64. .26E-04
! Center: -.5013274E-13 -.6254010E-13 14.76882
! Peng,Keng,TOTeng: -5515.956 6.647950 -5509.308
! tempr,rms_dis: 51.42476 4.273456
! fmax,frms: 25.63376 11.42935
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0075
! ===========================
!
! Mom & Angular mom: -.20E-15 -.43E-16 -.50E-16 -21. 8.5 .14E-04
! Center: -.5575170E-13 -.6832066E-13 14.88171
! Peng,Keng,TOTeng: -5515.912 6.772108 -5509.140
! tempr,rms_dis: 52.38517 4.333447
! fmax,frms: 25.76218 11.77094
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0076
! ===========================
!
! Mom & Angular mom: .34E-16 -.77E-16 -.54E-17 34. -23. -.31E-04
! Center: -.5805356E-13 -.6950243E-13 14.76847
! Peng,Keng,TOTeng: -5515.445 6.699255 -5508.746
! tempr,rms_dis: 51.82163 4.358262
! fmax,frms: 23.43734 11.32973
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0077
! ===========================
!
! Mom & Angular mom: -.92E-17 -.27E-16 -.45E-16 -21. -30. .42E-04
! Center: -.5716415E-13 -.7043255E-13 14.76847
! Peng,Keng,TOTeng: -5514.870 6.693314 -5508.176
! tempr,rms_dis: 51.77567 4.389197
! fmax,frms: 23.18777 11.36075
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0078
! ===========================
!
! Mom & Angular mom: -.28E-16 -.64E-16 -.58E-16 11. -25. .27E-04
! Center: -.5776120E-13 -.7298359E-13 14.76847
! Peng,Keng,TOTeng: -5514.217 6.695414 -5507.522
! tempr,rms_dis: 51.79191 4.430820
! fmax,frms: 27.44632 11.74196
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0079
! ===========================
!
! Mom & Angular mom: .76E-16 -.66E-16 -.13E-15 33. 39. .14E-04
! Center: -.5534092E-13 -.7452804E-13 14.88276
! Peng,Keng,TOTeng: -5513.528 6.676598 -5506.851
! tempr,rms_dis: 51.64637 4.473849
! fmax,frms: 26.34341 11.45683
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0080
! ===========================
!
! Mom & Angular mom: .20E-15 -.47E-16 -.27E-15 59. -27. .61E-05
! Center: -.5060026E-13 -.7704454E-13 14.76812
! Peng,Keng,TOTeng: -5512.722 6.688695 -5506.033
! tempr,rms_dis: 51.73994 4.539480
! fmax,frms: 23.76040 11.94624
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0081
! ===========================
!
! Mom & Angular mom: .95E-16 -.61E-16 -.27E-15 47. -29. -.14E-04
! Center: -.4783088E-13 -.8008409E-13 14.76812
! Peng,Keng,TOTeng: -5511.871 6.637146 -5505.234
! tempr,rms_dis: 51.34118 4.601849
! fmax,frms: 25.08537 11.42085
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0082
! ===========================
!
! Mom & Angular mom: .11E-16 -.11E-16 -.19E-15 -15. -32. .65E-05
! Center: -.4700931E-13 -.8139662E-13 14.76812
! Peng,Keng,TOTeng: -5511.009 6.621183 -5504.388
! tempr,rms_dis: 51.21771 4.650831
! fmax,frms: 27.22841 11.75500
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0083
! ===========================
!
! Mom & Angular mom: .60E-16 -.57E-16 -.17E-16 1.3 -2.1 .16E-04
! Center: -.4683908E-13 -.8172475E-13 14.76812
! Peng,Keng,TOTeng: -5510.114 6.626768 -5503.487
! tempr,rms_dis: 51.26090 4.696527
! fmax,frms: 30.48066 11.49530
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0084
! ===========================
!
! Mom & Angular mom: -.11E-15 -.68E-16 -.16E-16 -29. 3.2 -.12E-04
! Center: -.4666021E-13 -.8493206E-13 14.76812
! Peng,Keng,TOTeng: -5509.203 6.657216 -5502.546
! tempr,rms_dis: 51.49643 4.733039
! fmax,frms: 24.36635 11.65525
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0085
! ===========================
!
! Mom & Angular mom: -.86E-16 -.82E-16 -.61E-16 -2.0 12. -.28E-04
! Center: -.4959613E-13 -.8618045E-13 14.76812
! Peng,Keng,TOTeng: -5508.659 6.747499 -5501.912
! tempr,rms_dis: 52.19481 4.817892
! fmax,frms: 26.78355 11.70329
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0086
! ===========================
!
! Mom & Angular mom: -.82E-17 -.14E-15 -.12E-15 -.15E+03 56. .16E-04
! Center: -.5200285E-13 -.9015258E-13 14.76812
! Peng,Keng,TOTeng: -5511.455 8.296536 -5503.159
! tempr,rms_dis: 64.17728 4.991222
! fmax,frms: 31.55557 13.41156
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0087
! ===========================
!
! Mom & Angular mom: -.21E-15 -.19E-16 -.70E-16 .14E+03 .12E+03 -.28E-05
! Center: -.5605393E-13 -.9294047E-13 14.76812
! Peng,Keng,TOTeng: -5512.718 6.995214 -5505.723
! tempr,rms_dis: 54.11100 5.044697
! fmax,frms: 27.17171 12.33709
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0088
! ===========================
!
! Mom & Angular mom: -.23E-15 -.48E-16 .23E-16 -98. -28. -.49E-06
! Center: -.6120906E-13 -.9328094E-13 14.76812
! Peng,Keng,TOTeng: -5512.978 6.664073 -5506.314
! tempr,rms_dis: 51.54947 5.130632
! fmax,frms: 25.68338 11.73401
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0089
! ===========================
!
! Mom & Angular mom: -.19E-15 -.13E-16 .11E-15 23. -80. -.33E-05
! Center: -.6650976E-13 -.9305149E-13 14.76812
! Peng,Keng,TOTeng: -5512.586 6.680052 -5505.906
! tempr,rms_dis: 51.67308 5.141331
! fmax,frms: 26.99852 11.63128
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0090
! ===========================
!
! Mom & Angular mom: -.29E-15 -.12E-15 .82E-16 52. 52. -.80E-05
! Center: -.7347703E-13 -.9335249E-13 14.76812
! Peng,Keng,TOTeng: -5512.019 6.677506 -5505.342
! tempr,rms_dis: 51.65338 5.204901
! fmax,frms: 25.16253 11.44967
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0091
! ===========================
!
! Mom & Angular mom: -.27E-15 -.47E-16 -.10E-15 -34. -22. -.17E-04
! Center: -.8163717E-13 -.9550632E-13 14.76812
! Peng,Keng,TOTeng: -5511.343 6.628127 -5504.715
! tempr,rms_dis: 51.27142 5.247163
! fmax,frms: 27.03537 12.17585
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0092
! ===========================
!
! Mom & Angular mom: -.16E-15 -.38E-16 -.12E-15 -84. 20. .17E-04
! Center: -.8823559E-13 -.9753186E-13 14.76812
! Peng,Keng,TOTeng: -5511.773 6.832136 -5504.941
! tempr,rms_dis: 52.84952 5.354880
! fmax,frms: 26.97950 12.02709
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0093
! ===========================
!
! Mom & Angular mom: -.15E-15 .36E-16 -.11E-15 33. 60. .14E-04
! Center: -.9298241E-13 -.9904670E-13 14.76812
! Peng,Keng,TOTeng: -5511.604 6.646298 -5504.958
! tempr,rms_dis: 51.41198 5.427016
! fmax,frms: 26.47762 11.71358
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0094
! ===========================
!
! Mom & Angular mom: -.11E-15 -.36E-16 -.76E-16 -.16E+03 -6.2 .14E-05
! Center: -.9665602E-13 -.9913551E-13 14.76812
! Peng,Keng,TOTeng: -5511.204 6.679672 -5504.524
! tempr,rms_dis: 51.67014 5.439939
! fmax,frms: 28.65756 11.47486
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0095
! ===========================
!
! Mom & Angular mom: -.37E-16 -.17E-15 -.46E-16 5.0 65. -.42E-05
! Center: -.1010895E-12 -.1010846E-12 14.76812
! Peng,Keng,TOTeng: -5510.820 6.666671 -5504.153
! tempr,rms_dis: 51.56958 5.510527
! fmax,frms: 26.94167 12.09144
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0096
! ===========================
!
! Mom & Angular mom: -.42E-16 -.87E-16 .50E-16 -17. -7.8 -.23E-05
! Center: -.1005911E-12 -.1047088E-12 14.76812
! Peng,Keng,TOTeng: -5510.362 6.635781 -5503.726
! tempr,rms_dis: 51.33062 5.547999
! fmax,frms: 24.90578 11.86775
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0097
! ===========================
!
! Mom & Angular mom: -.74E-16 -.93E-16 .11E-15 22. -32. .19E-04
! Center: -.1031521E-12 -.1096185E-12 14.76812
! Peng,Keng,TOTeng: -5509.861 6.648013 -5503.213
! tempr,rms_dis: 51.42524 5.599156
! fmax,frms: 29.98838 11.69286
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0098
! ===========================
!
! Mom & Angular mom: .59E-16 -.22E-15 .20E-15 4.5 42. -.35E-05
! Center: -.1020283E-12 -.1138817E-12 14.76812
! Peng,Keng,TOTeng: -5509.267 6.707226 -5502.560
! tempr,rms_dis: 51.88328 5.658132
! fmax,frms: 28.19872 11.95138
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0099
! ===========================
!
! Mom & Angular mom: .22E-16 -.13E-15 .66E-16 -46. -33. -.20E-04
! Center: -.1032766E-12 -.1175331E-12 14.76812
! Peng,Keng,TOTeng: -5508.681 6.679847 -5502.002
! tempr,rms_dis: 51.67149 5.674783
! fmax,frms: 30.52532 12.10981
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0100
! ===========================
!
! Mom & Angular mom: .12E-15 -.68E-16 -.31E-16 16. -.11E+03 .28E-04
! Center: -.1023256E-12 -.1189986E-12 14.76812
! Peng,Keng,TOTeng: -5508.063 6.691392 -5501.372
! tempr,rms_dis: 51.76080 5.752731
! fmax,frms: 27.76723 11.27624
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0101
! ===========================
!
! Mom & Angular mom: .57E-16 -.41E-16 .62E-16 -63. 23. .12E-04
! Center: -.9945748E-13 -.1202495E-12 14.76812
! Peng,Keng,TOTeng: -5507.440 6.666786 -5500.773
! tempr,rms_dis: 51.57046 5.822949
! fmax,frms: 26.69556 11.36198
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0102
! ===========================
!
! Mom & Angular mom: .14E-15 -.52E-17 .16E-15 -.12E+03 56. .12E-04
! Center: -.9582828E-13 -.1218112E-12 14.76812
! Peng,Keng,TOTeng: -5508.638 6.866341 -5501.772
! tempr,rms_dis: 53.11411 5.981482
! fmax,frms: 26.29979 11.61559
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0103
! ===========================
!
! Mom & Angular mom: .14E-15 -.88E-16 .24E-15 -61. .14E+03 .33E-04
! Center: -.9327970E-13 -.1246410E-12 14.76812
! Peng,Keng,TOTeng: -5508.503 6.684928 -5501.819
! tempr,rms_dis: 51.71080 6.031063
! fmax,frms: 27.77246 12.06080
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0104
! ===========================
!
! Mom & Angular mom: .23E-15 -.25E-15 .16E-15 -52. -41. .21E-04
! Center: -.8396123E-13 -.1294199E-12 14.76812
! Peng,Keng,TOTeng: -5508.410 6.745629 -5501.664
! tempr,rms_dis: 52.18035 6.130741
! fmax,frms: 27.83956 11.77042
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0105
! ===========================
!
! Mom & Angular mom: .14E-15 -.22E-15 .12E-15 -20. -65. -.44E-05
! Center: -.7875182E-13 -.1369176E-12 14.76812
! Peng,Keng,TOTeng: -5508.135 6.675400 -5501.459
! tempr,rms_dis: 51.63710 6.198657
! fmax,frms: 27.70040 11.95062
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0106
! ===========================
!
! Mom & Angular mom: .86E-16 -.22E-15 .27E-15 45. 65. .12E-04
! Center: -.7388288E-13 -.1446226E-12 14.76812
! Peng,Keng,TOTeng: -5508.003 6.685641 -5501.317
! tempr,rms_dis: 51.71631 6.182194
! fmax,frms: 26.84575 11.56909
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0107
! ===========================
!
! Mom & Angular mom: .15E-17 -.52E-16 .20E-15 32. 65. .70E-05
! Center: -.7284667E-13 -.1491696E-12 14.76812
! Peng,Keng,TOTeng: -5507.720 6.703610 -5501.017
! tempr,rms_dis: 51.85532 6.248975
! fmax,frms: 26.28269 11.71807
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0108
! ===========================
!
! Mom & Angular mom: -.22E-16 .26E-16 .28E-15 18. 80. .46E-04
! Center: -.7430599E-13 -.1500010E-12 14.76812
! Peng,Keng,TOTeng: -5507.468 6.709638 -5500.759
! tempr,rms_dis: 51.90194 6.317980
! fmax,frms: 25.21775 11.73455
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0109
! ===========================
!
! Mom & Angular mom: .12E-15 .85E-16 .22E-15 -58. -15. .28E-04
! Center: -.7213982E-13 -.1470749E-12 14.76812
! Peng,Keng,TOTeng: -5507.174 6.699002 -5500.475
! tempr,rms_dis: 51.81967 6.363382
! fmax,frms: 26.96001 11.64756
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0110
! ===========================
!
! Mom & Angular mom: .99E-16 -.49E-16 .16E-15 -.13E+03 -62. .48E-05
! Center: -.6927175E-13 -.1471761E-12 14.76812
! Peng,Keng,TOTeng: -5506.896 6.685180 -5500.210
! tempr,rms_dis: 51.71275 6.454199
! fmax,frms: 29.05043 11.80601
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0111
! ===========================
!
! Mom & Angular mom: .76E-16 -.10E-15 .61E-16 -81. 20. -.72E-05
! Center: -.6882273E-13 -.1494434E-12 14.76812
! Peng,Keng,TOTeng: -5506.597 6.685850 -5499.911
! tempr,rms_dis: 51.71793 6.469896
! fmax,frms: 24.46767 11.48903
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0112
! ===========================
!
! Mom & Angular mom: .91E-16 -.16E-15 .77E-17 -26. -45. -.11E-05
! Center: -.6782229E-13 -.1512272E-12 14.76812
! Peng,Keng,TOTeng: -5506.231 6.660600 -5499.571
! tempr,rms_dis: 51.52261 6.511776
! fmax,frms: 25.57855 11.45718
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! Frame 0113
! ===========================
!
! Mom & Angular mom: .37E-16 -.17E-16 -.56E-16 .21E+03 92. -.54E-05
! Center: -.6455330E-13 -.1536376E-12 14.76812
! Peng,Keng,TOTeng: -5506.272 6.931292 -5499.340
! tempr,rms_dis: 53.61653 6.715581
! fmax,frms: 25.71123 11.69999
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0114
! ===========================
!
! Mom & Angular mom: .77E-16 -.10E-15 -.32E-17 15. 60. -.23E-04
! Center: -.6209477E-13 -.1544049E-12 14.76812
! Peng,Keng,TOTeng: -5506.231 6.645716 -5499.585
! tempr,rms_dis: 51.40748 6.640812
! fmax,frms: 31.27548 11.73836
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0115
! ===========================
!
! Mom & Angular mom: .14E-15 -.15E-16 -.13E-15 .18E+03 -76. -.21E-04
! Center: -.5998042E-13 -.1578737E-12 14.76812
! Peng,Keng,TOTeng: -5505.993 6.648064 -5499.345
! tempr,rms_dis: 51.42564 6.809967
! fmax,frms: 23.76860 11.54248
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0116
! ===========================
!
! Mom & Angular mom: .13E-15 -.34E-16 -.18E-15 23. -.14E+03 -.97E-05
! Center: -.5593920E-13 -.1577750E-12 14.76812
! Peng,Keng,TOTeng: -5505.787 6.708188 -5499.079
! tempr,rms_dis: 51.89072 6.881818
! fmax,frms: 25.54769 11.35437
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0117
! ===========================
!
! Mom & Angular mom: .20E-15 -.82E-16 -.23E-15 -26. -2.8 -.97E-05
! Center: -.5259497E-13 -.1589543E-12 14.76812
! Peng,Keng,TOTeng: -5505.503 6.644791 -5498.858
! tempr,rms_dis: 51.40032 6.936297
! fmax,frms: 22.69476 11.64107
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0118
! ===========================
!
! Mom & Angular mom: .21E-15 -.79E-16 -.11E-15 -80. 50. -.12E-04
! Center: -.4810596E-13 -.1610440E-12 14.76812
! Peng,Keng,TOTeng: -5505.277 6.740432 -5498.537
! tempr,rms_dis: 52.14015 6.959187
! fmax,frms: 26.31566 11.54099
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0119
! ===========================
!
! Mom & Angular mom: .29E-15 .15E-16 -.22E-15 .12E+03 .81 -.11E-04
! Center: -.3880106E-13 -.1606567E-12 14.76812
! Peng,Keng,TOTeng: -5504.839 6.664013 -5498.174
! tempr,rms_dis: 51.54901 7.047891
! fmax,frms: 26.42716 11.79906
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0120
! ===========================
!
! Mom & Angular mom: .32E-15 -.82E-16 -.26E-15 57. -14. .12E-04
! Center: -.2887690E-13 -.1634544E-12 14.76812
! Peng,Keng,TOTeng: -5504.691 6.685920 -5498.005
! tempr,rms_dis: 51.71847 7.168336
! fmax,frms: 23.53228 11.64501
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0121
! ===========================
!
! Mom & Angular mom: .29E-15 .90E-16 -.16E-15 22. 60. -.50E-05
! Center: -.1958187E-13 -.1637752E-12 14.76812
! Peng,Keng,TOTeng: -5504.615 6.696477 -5497.919
! tempr,rms_dis: 51.80014 7.203327
! fmax,frms: 28.89940 11.73504
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0122
! ===========================
!
! Mom & Angular mom: .29E-15 -.61E-16 -.19E-15 -64. 6.8 .70E-05
! Center: -.1239502E-13 -.1621419E-12 14.76812
! Peng,Keng,TOTeng: -5504.456 6.694705 -5497.762
! tempr,rms_dis: 51.78643 7.226270
! fmax,frms: 26.44410 11.69786
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0123
! ===========================
!
! Mom & Angular mom: .31E-15 -.89E-16 -.24E-15 -64. -4.3 .15E-04
! Center: -.3367677E-14 -.1628130E-12 14.76812
! Peng,Keng,TOTeng: -5504.353 6.690686 -5497.662
! tempr,rms_dis: 51.75534 7.260378
! fmax,frms: 23.10494 11.62991
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0124
! ===========================
!
! Mom & Angular mom: .35E-15 .48E-16 -.17E-15 -3.6 93. -.19E-04
! Center: .6197512E-14 -.1656749E-12 14.76812
! Peng,Keng,TOTeng: -5504.203 6.688560 -5497.514
! tempr,rms_dis: 51.73889 7.296435
! fmax,frms: 25.42803 11.47946
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0125
! ===========================
!
! Mom & Angular mom: .47E-15 .32E-16 -.14E-15 89. 12. .51E-04
! Center: .1896261E-13 -.1650236E-12 14.76812
! Peng,Keng,TOTeng: -5503.959 6.711528 -5497.247
! tempr,rms_dis: 51.91656 7.345113
! fmax,frms: 25.35001 11.36084
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0126
! ===========================
!
! Mom & Angular mom: .55E-15 .57E-16 -.40E-17 52. 69. .17E-04
! Center: .3566900E-13 -.1642464E-12 14.76812
! Peng,Keng,TOTeng: -5503.841 6.718326 -5497.123
! tempr,rms_dis: 51.96914 7.576258
! fmax,frms: 27.81645 11.67023
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0127
! ===========================
!
! Mom & Angular mom: .49E-15 .11E-15 .13E-16 55. 78. -.25E-04
! Center: .5197571E-13 -.1602669E-12 14.76812
! Peng,Keng,TOTeng: -5503.839 6.737472 -5497.102
! tempr,rms_dis: 52.11725 7.680194
! fmax,frms: 25.81403 12.01722
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0128
! ===========================
!
! Mom & Angular mom: .35E-15 .11E-15 -.47E-16 32. -7.5 .50E-05
! Center: .6549822E-13 -.1564872E-12 14.76812
! Peng,Keng,TOTeng: -5503.854 6.708266 -5497.145
! tempr,rms_dis: 51.89133 7.781442
! fmax,frms: 23.96333 11.71894
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0129
! ===========================
!
! Mom & Angular mom: .25E-15 .15E-15 -.83E-16 -25. 9.2 .28E-04
! Center: .7390138E-13 -.1540471E-12 14.76812
! Peng,Keng,TOTeng: -5503.839 6.704997 -5497.134
! tempr,rms_dis: 51.86604 7.828763
! fmax,frms: 26.26107 11.05245
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0130
! ===========================
!
! Mom & Angular mom: .88E-16 -.15E-16 -.72E-16 -14. -12. -.22E-04
! Center: .8104258E-13 -.1523053E-12 14.76812
! Peng,Keng,TOTeng: -5503.828 6.685294 -5497.143
! tempr,rms_dis: 51.71363 7.846816
! fmax,frms: 24.05887 11.42182
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0131
! ===========================
!
! Mom & Angular mom: .46E-16 .19E-16 -.43E-16 -45. 19. -.29E-04
! Center: .8119554E-13 -.1512716E-12 14.76812
! Peng,Keng,TOTeng: -5503.814 6.697085 -5497.117
! tempr,rms_dis: 51.80484 7.870965
! fmax,frms: 23.58202 11.92453
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0132
! ===========================
!
! Mom & Angular mom: .45E-16 -.31E-16 .34E-16 -15. -58. .22E-04
! Center: .8182590E-13 -.1502551E-12 14.76812
! Peng,Keng,TOTeng: -5503.864 6.679591 -5497.184
! tempr,rms_dis: 51.66952 7.919599
! fmax,frms: 24.98574 11.76145
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0133
! ===========================
!
! Mom & Angular mom: .94E-16 -.62E-17 -.12E-16 33. 25. .68E-05
! Center: .8623472E-13 -.1510890E-12 14.76812
! Peng,Keng,TOTeng: -5503.873 6.670649 -5497.202
! tempr,rms_dis: 51.60034 7.979820
! fmax,frms: 25.67817 11.81869
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0134
! ===========================
!
! Mom & Angular mom: .52E-16 .54E-16 .68E-16 -45. 59. -.11E-04
! Center: .8849218E-13 -.1497148E-12 14.76812
! Peng,Keng,TOTeng: -5503.869 6.686782 -5497.182
! tempr,rms_dis: 51.72514 8.012946
! fmax,frms: 28.47966 11.72733
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0135
! ===========================
!
! Mom & Angular mom: .35E-16 .19E-16 .15E-15 -49. 9.8 -.23E-04
! Center: .9078170E-13 -.1502428E-12 14.76812
! Peng,Keng,TOTeng: -5503.860 6.646117 -5497.214
! tempr,rms_dis: 51.41058 8.108883
! fmax,frms: 25.61868 11.81704
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! Frame 0136
! ===========================
!
! Mom & Angular mom: .50E-16 -.10E-15 .17E-15 -62. -2.6 -.16E-04
! Center: .9271102E-13 -.1521302E-12 14.76812
! Peng,Keng,TOTeng: -5503.831 6.688634 -5497.142
! tempr,rms_dis: 51.73946 8.134841
! fmax,frms: 28.01090 11.50972
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0137
! ===========================
!
! Mom & Angular mom: .15E-17 -.12E-15 .11E-15 3.8 18. .40E-04
! Center: .9523740E-13 -.1572100E-12 14.76812
! Peng,Keng,TOTeng: -5503.781 6.708775 -5497.073
! tempr,rms_dis: 51.89526 8.222110
! fmax,frms: 25.67183 12.09328
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0138
! ===========================
!
! Mom & Angular mom: .60E-17 -.13E-15 .14E-15 -66. 22. -.14E-04
! Center: .9307246E-13 -.1601336E-12 14.76812
! Peng,Keng,TOTeng: -5503.803 6.680917 -5497.122
! tempr,rms_dis: 51.67977 8.274842
! fmax,frms: 27.19079 12.00681
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0139
! ===========================
!
! Mom & Angular mom: .32E-16 -.48E-16 .35E-16 3.1 46. .58E-05
! Center: .9246677E-13 -.1609651E-12 14.76812
! Peng,Keng,TOTeng: -5503.805 6.712979 -5497.092
! tempr,rms_dis: 51.92778 8.340097
! fmax,frms: 26.42344 11.95754
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0140
! ===========================
!
! Mom & Angular mom: .72E-16 -.79E-16 .25E-17 -19. -40. -.45E-06
! Center: .9398161E-13 -.1625490E-12 14.76812
! Peng,Keng,TOTeng: -5503.822 6.711216 -5497.111
! tempr,rms_dis: 51.91415 8.408364
! fmax,frms: 24.57653 11.33873
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0141
! ===========================
!
! Mom & Angular mom: .24E-15 -.81E-16 -.15E-16 33. -62. -.14E-04
! Center: .9689040E-13 -.1662645E-12 14.76812
! Peng,Keng,TOTeng: -5503.809 6.734918 -5497.074
! tempr,rms_dis: 52.09750 8.453587
! fmax,frms: 29.27365 12.20950
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0142
! ===========================
!
! Mom & Angular mom: .28E-15 -.52E-16 .92E-16 11. 46. .48E-05
! Center: .1059868E-12 -.1671947E-12 14.76812
! Peng,Keng,TOTeng: -5503.844 6.692047 -5497.152
! tempr,rms_dis: 51.76586 8.545063
! fmax,frms: 26.44551 11.37219
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0143
! ===========================
!
! Mom & Angular mom: .34E-15 -.52E-16 -.13E-15 -76. -8.2 -.23E-05
! Center: .1127234E-12 -.1688205E-12 14.76812
! Peng,Keng,TOTeng: -5503.835 6.676876 -5497.158
! tempr,rms_dis: 51.64852 8.605126
! fmax,frms: 23.70538 11.20906
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0144
! ===========================
!
! Mom & Angular mom: .30E-15 -.84E-16 -.43E-16 .58 21. .39E-04
! Center: .1253923E-12 -.1715788E-12 14.76812
! Peng,Keng,TOTeng: -5503.812 6.686578 -5497.125
! tempr,rms_dis: 51.72356 8.640663
! fmax,frms: 30.14953 11.79372
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0145
! ===========================
!
! Mom & Angular mom: .25E-15 -.22E-15 -.19E-15 1.8 -42. .14E-04
! Center: .1336141E-12 -.1764687E-12 14.76812
! Peng,Keng,TOTeng: -5503.840 6.664718 -5497.176
! tempr,rms_dis: 51.55446 8.748697
! fmax,frms: 30.05373 11.54368
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0146
! ===========================
!
! Mom & Angular mom: .35E-15 -.32E-15 -.13E-15 -10. -52. .75E-05
! Center: .1411686E-12 -.1853554E-12 14.76812
! Peng,Keng,TOTeng: -5503.839 6.666032 -5497.173
! tempr,rms_dis: 51.56463 8.802791
! fmax,frms: 25.71822 11.52316
!
TITLE = "XYZ"
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!
! ===========================
! Frame 0147
! ===========================
!
! Mom & Angular mom: .18E-15 -.16E-15 -.16E-15 45. 51. -.30E-05
! Center: .1478373E-12 -.1913654E-12 14.76812
! Peng,Keng,TOTeng: -5503.806 6.710992 -5497.095
! tempr,rms_dis: 51.91241 8.866493
! fmax,frms: 24.87443 11.92562
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0148
! ===========================
!
! Mom & Angular mom: .12E-15 -.15E-15 -.57E-17 68. 25. .53E-05
! Center: .1498258E-12 -.1945061E-12 14.76812
! Peng,Keng,TOTeng: -5503.813 6.682451 -5497.131
! tempr,rms_dis: 51.69164 8.950519
! fmax,frms: 24.78570 11.52263
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0149
! ===========================
!
! Mom & Angular mom: -.21E-16 -.15E-15 .14E-16 -48. 97. -.10E-04
! Center: .1504068E-12 -.2010515E-12 14.76812
! Peng,Keng,TOTeng: -5503.827 6.674762 -5497.152
! tempr,rms_dis: 51.63216 9.011253
! fmax,frms: 24.47867 11.67500
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0150
! ===========================
!
! Mom & Angular mom: .13E-15 -.44E-16 -.34E-16 19. 35. .21E-04
! Center: .1502786E-12 -.2028920E-12 14.76812
! Peng,Keng,TOTeng: -5503.836 6.677198 -5497.159
! tempr,rms_dis: 51.65100 9.079366
! fmax,frms: 25.41038 11.44063
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0151
! ===========================
!
! Mom & Angular mom: .99E-16 -.15E-15 .12E-15 25. -8.3 -.26E-04
! Center: .1537610E-12 -.2055442E-12 14.76812
! Peng,Keng,TOTeng: -5503.831 6.673404 -5497.158
! tempr,rms_dis: 51.62165 9.139554
! fmax,frms: 26.45497 11.50973
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0152
! ===========================
!
! Mom & Angular mom: .51E-16 -.40E-16 .16E-15 15. 21. .22E-04
! Center: .1549267E-12 -.2105304E-12 14.76812
! Peng,Keng,TOTeng: -5503.831 6.681789 -5497.149
! tempr,rms_dis: 51.68651 9.200313
! fmax,frms: 26.46291 11.24582
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0153
! ===========================
!
! Mom & Angular mom: .54E-17 -.34E-16 .21E-15 -1.1 -69. .11E-04
! Center: .1555928E-12 -.2131530E-12 14.76812
! Peng,Keng,TOTeng: -5503.803 6.729746 -5497.073
! tempr,rms_dis: 52.05748 9.272380
! fmax,frms: 27.58652 11.70037
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0154
! ===========================
!
! Mom & Angular mom: -.58E-16 -.74E-17 .25E-15 70. -.89 .49E-06
! Center: .1560048E-12 -.2148084E-12 14.76812
! Peng,Keng,TOTeng: -5503.820 6.711130 -5497.109
! tempr,rms_dis: 51.91348 9.320032
! fmax,frms: 25.26221 11.14274
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0155
! ===========================
!
! Mom & Angular mom: .72E-17 .13E-15 .20E-15 25. -98. -.17E-04
! Center: .1555274E-12 -.2122401E-12 14.76812
! Peng,Keng,TOTeng: -5503.827 6.690719 -5497.136
! tempr,rms_dis: 51.75559 9.379271
! fmax,frms: 26.99585 11.78698
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0156
! ===========================
!
! Mom & Angular mom: .84E-16 .17E-15 .19E-15 -.20 -24. -.32E-05
! Center: .1579181E-12 -.2056503E-12 14.76812
! Peng,Keng,TOTeng: -5503.827 6.681097 -5497.146
! tempr,rms_dis: 51.68117 9.435959
! fmax,frms: 26.11074 11.95103
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0157
! ===========================
!
! Mom & Angular mom: -.30E-16 .17E-15 .18E-15 -27. -75. .18E-05
! Center: .1594404E-12 -.1993615E-12 14.76812
! Peng,Keng,TOTeng: -5503.790 6.716064 -5497.074
! tempr,rms_dis: 51.95165 9.506365
! fmax,frms: 27.79303 11.44473
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0158
! ===========================
!
! Mom & Angular mom: .14E-16 .21E-15 .15E-15 -18. -40. -.17E-04
! Center: .1582623E-12 -.1928334E-12 14.76812
! Peng,Keng,TOTeng: -5503.812 6.712693 -5497.099
! tempr,rms_dis: 51.92557 9.570367
! fmax,frms: 26.87260 11.77694
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0159
! ===========================
!
! Mom & Angular mom: .86E-16 .14E-15 .16E-15 -11. 13. -.11E-05
! Center: .1593799E-12 -.1842649E-12 14.76812
! Peng,Keng,TOTeng: -5503.848 6.670239 -5497.177
! tempr,rms_dis: 51.59717 9.622999
! fmax,frms: 26.19302 11.91380
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0160
! ===========================
!
! Mom & Angular mom: .96E-16 .22E-15 .24E-15 -28. 15. .52E-06
! Center: .1613586E-12 -.1799672E-12 14.76812
! Peng,Keng,TOTeng: -5503.845 6.639448 -5497.206
! tempr,rms_dis: 51.35899 9.697565
! fmax,frms: 22.51892 11.81176
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0161
! ===========================
!
! Mom & Angular mom: .16E-15 .23E-15 .11E-15 -26. 16. .14E-04
! Center: .1662830E-12 -.1723880E-12 14.76812
! Peng,Keng,TOTeng: -5503.856 6.660078 -5497.196
! tempr,rms_dis: 51.51857 9.766660
! fmax,frms: 25.67585 11.77759
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0162
! ===========================
!
! Mom & Angular mom: .16E-15 .19E-15 .95E-16 52. 61. -.13E-04
! Center: .1685652E-12 -.1641033E-12 14.76812
! Peng,Keng,TOTeng: -5503.822 6.684518 -5497.138
! tempr,rms_dis: 51.70762 9.806323
! fmax,frms: 24.62099 11.66172
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0163
! ===========================
!
! Mom & Angular mom: .14E-15 .19E-15 -.88E-16 -26. -37. .25E-04
! Center: .1731763E-12 -.1560579E-12 14.76812
! Peng,Keng,TOTeng: -5503.817 6.698458 -5497.118
! tempr,rms_dis: 51.81546 9.867948
! fmax,frms: 25.19703 12.07147
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0164
! ===========================
!
! Mom & Angular mom: .25E-16 .80E-16 -.22E-17 74. -81. -.22E-04
! Center: .1750180E-12 -.1535562E-12 14.76812
! Peng,Keng,TOTeng: -5503.857 6.657371 -5497.200
! tempr,rms_dis: 51.49763 9.927239
! fmax,frms: 31.07152 11.75070
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0165
! ===========================
!
! Mom & Angular mom: .33E-16 .79E-16 -.15E-15 -54. -59. -.74E-05
! Center: .1788113E-12 -.1521795E-12 14.76812
! Peng,Keng,TOTeng: -5503.836 6.680463 -5497.156
! tempr,rms_dis: 51.67626 10.00834
! fmax,frms: 29.28222 11.50112
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0166
! ===========================
!
! Mom & Angular mom: .87E-16 .65E-16 -.64E-16 17. -75. -.15E-04
! Center: .1809404E-12 -.1514788E-12 14.76812
! Peng,Keng,TOTeng: -5503.849 6.652295 -5497.197
! tempr,rms_dis: 51.45837 10.04873
! fmax,frms: 26.46399 11.52631
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0167
! ===========================
!
! Mom & Angular mom: .14E-15 .23E-15 -.18E-15 4.6 39. .11E-04
! Center: .1862029E-12 -.1483825E-12 14.76812
! Peng,Keng,TOTeng: -5503.837 6.670436 -5497.167
! tempr,rms_dis: 51.59870 10.09629
! fmax,frms: 28.38385 12.12443
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0168
! ===========================
!
! Mom & Angular mom: .16E-15 .26E-15 -.95E-16 37. 31. -.85E-05
! Center: .1894966E-12 -.1387532E-12 14.76812
! Peng,Keng,TOTeng: -5503.829 6.712174 -5497.116
! tempr,rms_dis: 51.92156 10.16138
! fmax,frms: 31.97102 11.89025
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0169
! ===========================
!
! Mom & Angular mom: .21E-15 .31E-15 .50E-16 3.8 15. -.31E-04
! Center: .1944494E-12 -.1306486E-12 14.76812
! Peng,Keng,TOTeng: -5503.808 6.700696 -5497.107
! tempr,rms_dis: 51.83277 10.23163
! fmax,frms: 27.56783 11.87117
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0170
! ===========================
!
! Mom & Angular mom: .25E-15 .29E-15 .32E-16 3.0 -14. .22E-04
! Center: .2012304E-12 -.1227734E-12 14.76812
! Peng,Keng,TOTeng: -5503.813 6.697904 -5497.115
! tempr,rms_dis: 51.81117 10.26432
! fmax,frms: 26.55560 11.73313
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0171
! ===========================
!
! Mom & Angular mom: .12E-15 .10E-15 .41E-16 25. -33. -.18E-04
! Center: .2046745E-12 -.1174295E-12 14.76812
! Peng,Keng,TOTeng: -5503.803 6.719677 -5497.083
! tempr,rms_dis: 51.97960 10.37569
! fmax,frms: 25.94534 12.26870
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0172
! ===========================
!
! Mom & Angular mom: .16E-15 .71E-16 .90E-17 -.12E+03 16. .12E-04
! Center: .2086109E-12 -.1149574E-12 14.76812
! Peng,Keng,TOTeng: -5503.832 6.698233 -5497.133
! tempr,rms_dis: 51.81372 10.41885
! fmax,frms: 29.37947 11.63877
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0173
! ===========================
!
! Mom & Angular mom: .52E-17 -.43E-16 -.16E-15 72. -25. -.45E-04
! Center: .2122944E-12 -.1153842E-12 14.76812
! Peng,Keng,TOTeng: -5503.842 6.681590 -5497.160
! tempr,rms_dis: 51.68498 10.48428
! fmax,frms: 24.31419 11.89853
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0174
! ===========================
!
! Mom & Angular mom: -.41E-17 .36E-16 -.11E-15 50. -40. .14E-04
! Center: .2118466E-12 -.1167930E-12 14.76812
! Peng,Keng,TOTeng: -5503.837 6.662068 -5497.175
! tempr,rms_dis: 51.53397 10.53092
! fmax,frms: 26.35256 11.53067
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0175
! ===========================
!
! Mom & Angular mom: -.75E-16 .58E-18 -.22E-16 -63. -.11E+03 -.21E-04
! Center: .2121908E-12 -.1170841E-12 14.76812
! Peng,Keng,TOTeng: -5504.476 6.807001 -5497.669
! tempr,rms_dis: 52.65508 10.62517
! fmax,frms: 23.85813 11.55877
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0176
! ===========================
!
! Mom & Angular mom: -.13E-15 -.83E-16 -.13E-15 -93. 21. .15E-04
! Center: .2087762E-12 -.1204617E-12 14.76812
! Peng,Keng,TOTeng: -5504.520 6.727499 -5497.792
! tempr,rms_dis: 52.04011 10.64802
! fmax,frms: 22.73523 11.66043
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0177
! ===========================
!
! Mom & Angular mom: -.23E-17 -.11E-16 -.17E-15 3.8 -39. .16E-04
! Center: .2064669E-12 -.1211648E-12 14.76812
! Peng,Keng,TOTeng: -5504.528 6.656781 -5497.871
! tempr,rms_dis: 51.49307 10.76985
! fmax,frms: 30.02091 11.66754
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0178
! ===========================
!
! Mom & Angular mom: .77E-16 -.36E-16 -.12E-15 -51. -.13E+03 .36E-04
! Center: .2060290E-12 -.1195710E-12 14.76812
! Peng,Keng,TOTeng: -5504.513 6.688396 -5497.825
! tempr,rms_dis: 51.73762 10.78474
! fmax,frms: 23.78906 11.87951
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0179
! ===========================
!
! Mom & Angular mom: .75E-16 .57E-16 -.14E-15 -14. -73. .72E-05
! Center: .2090550E-12 -.1172642E-12 14.76812
! Peng,Keng,TOTeng: -5504.530 6.721432 -5497.809
! tempr,rms_dis: 51.99318 10.87541
! fmax,frms: 23.35797 11.93582
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0180
! ===========================
!
! Mom & Angular mom: -.44E-16 .54E-16 -.27E-15 -98. -.11E+03 -.10E-04
! Center: .2087713E-12 -.1164402E-12 14.76812
! Peng,Keng,TOTeng: -5504.539 6.727743 -5497.811
! tempr,rms_dis: 52.04199 10.97888
! fmax,frms: 24.97883 11.64078
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0181
! ===========================
!
! Mom & Angular mom: -.10E-15 .11E-15 -.34E-15 38. -97. .59E-05
! Center: .2068617E-12 -.1136498E-12 14.76812
! Peng,Keng,TOTeng: -5504.555 6.680775 -5497.874
! tempr,rms_dis: 51.67867 10.99385
! fmax,frms: 27.03607 11.65400
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0182
! ===========================
!
! Mom & Angular mom: -.30E-16 .12E-15 -.24E-15 -20. -48. .28E-04
! Center: .2035310E-12 -.1103562E-12 14.76812
! Peng,Keng,TOTeng: -5504.521 6.718049 -5497.803
! tempr,rms_dis: 51.96700 11.08962
! fmax,frms: 26.16275 11.51689
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0183
! ===========================
!
! Mom & Angular mom: .19E-16 .11E-15 -.84E-16 -49. -12. -.85E-05
! Center: .2016819E-12 -.1097048E-12 14.76812
! Peng,Keng,TOTeng: -5504.525 6.716519 -5497.808
! tempr,rms_dis: 51.95517 11.12068
! fmax,frms: 24.70086 11.59067
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0184
! ===========================
!
! Mom & Angular mom: .87E-18 .85E-16 -.11E-15 -5.1 -3.8 -.11E-04
! Center: .2003570E-12 -.1055674E-12 14.76812
! Peng,Keng,TOTeng: -5504.530 6.707772 -5497.822
! tempr,rms_dis: 51.88751 11.15979
! fmax,frms: 24.45067 11.60507
!
TITLE = "XYZ"
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! ===========================
! Frame 0185
! ===========================
!
! Mom & Angular mom: .19E-16 -.28E-16 -.24E-15 -4.7 -46. -.86E-05
! Center: .1996366E-12 -.1049630E-12 14.76812
! Peng,Keng,TOTeng: -5504.511 6.728670 -5497.782
! tempr,rms_dis: 52.04916 11.21754
! fmax,frms: 30.02766 12.03249
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0186
! ===========================
!
! Mom & Angular mom: -.17E-15 .11E-15 -.81E-16 -66. -61. .49E-04
! Center: .1980675E-12 -.1048149E-12 14.76812
! Peng,Keng,TOTeng: -5504.532 6.723321 -5497.808
! tempr,rms_dis: 52.00778 11.27571
! fmax,frms: 26.07555 11.60026
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0187
! ===========================
!
! Mom & Angular mom: -.14E-15 .21E-15 -.43E-16 -83. -63. .14E-04
! Center: .1943026E-12 -.1017112E-12 14.76812
! Peng,Keng,TOTeng: -5504.516 6.716385 -5497.800
! tempr,rms_dis: 51.95413 11.35430
! fmax,frms: 23.46439 11.63866
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0188
! ===========================
!
! Mom & Angular mom: -.43E-16 .28E-15 .61E-16 -80. -52. .16E-04
! Center: .1926496E-12 -.9590847E-13 14.76812
! Peng,Keng,TOTeng: -5504.565 6.702948 -5497.862
! tempr,rms_dis: 51.85019 11.42533
! fmax,frms: 24.17194 11.54541
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0189
! ===========================
!
! Mom & Angular mom: .46E-16 .12E-15 .12E-16 -.10E+03 -95. -.32E-04
! Center: .1931517E-12 -.9129241E-13 14.76812
! Peng,Keng,TOTeng: -5504.506 6.702037 -5497.804
! tempr,rms_dis: 51.84315 11.48402
! fmax,frms: 23.55502 11.72179
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0190
! ===========================
!
! Mom & Angular mom: .28E-16 .49E-16 -.30E-16 4.3 -14. .11E-05
! Center: .1929296E-12 -.8691073E-13 14.76812
! Peng,Keng,TOTeng: -5504.547 6.687477 -5497.860
! tempr,rms_dis: 51.73052 11.55884
! fmax,frms: 24.99267 11.58796
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0191
! ===========================
!
! Mom & Angular mom: -.22E-17 -.21E-16 -.16E-15 -40. -53. .32E-04
! Center: .1968771E-12 -.8305949E-13 14.76812
! Peng,Keng,TOTeng: -5504.533 6.693868 -5497.839
! tempr,rms_dis: 51.77996 11.59089
! fmax,frms: 24.98950 11.47038
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0192
! ===========================
!
! Mom & Angular mom: .30E-16 .39E-16 -.21E-15 -11. -9.9 -.30E-04
! Center: .1953499E-12 -.8297807E-13 14.76812
! Peng,Keng,TOTeng: -5504.519 6.701051 -5497.818
! tempr,rms_dis: 51.83551 11.63669
! fmax,frms: 26.53782 11.94622
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0193
! ===========================
!
! Mom & Angular mom: .12E-16 .68E-16 -.11E-15 -78. -22. -.39E-05
! Center: .1964318E-12 -.7923292E-13 14.76812
! Peng,Keng,TOTeng: -5504.511 6.708832 -5497.802
! tempr,rms_dis: 51.89571 11.71028
! fmax,frms: 27.25348 11.71806
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0194
! ===========================
!
! Mom & Angular mom: .28E-16 .85E-16 -.11E-15 -18. -1.8 -.36E-05
! Center: .1988113E-12 -.7657578E-13 14.76812
! Peng,Keng,TOTeng: -5504.553 6.697899 -5497.855
! tempr,rms_dis: 51.81114 11.74297
! fmax,frms: 29.63425 11.80775
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0195
! ===========================
!
! Mom & Angular mom: -.20E-16 -.27E-17 -.12E-15 -71. -34. -.12E-04
! Center: .1961875E-12 -.7539648E-13 14.76812
! Peng,Keng,TOTeng: -5504.517 6.706400 -5497.810
! tempr,rms_dis: 51.87689 11.83384
! fmax,frms: 25.66077 11.58391
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0196
! ===========================
!
! Mom & Angular mom: .38E-16 .19E-15 -.23E-15 -34. 2.3 -.31E-05
! Center: .1971090E-12 -.7207321E-13 14.76812
! Peng,Keng,TOTeng: -5504.540 6.706377 -5497.833
! tempr,rms_dis: 51.87672 11.88909
! fmax,frms: 30.28968 11.65772
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0197
! ===========================
!
! Mom & Angular mom: .17E-15 .32E-16 -.41E-15 -5.5 -85. -.46E-04
! Center: .2020779E-12 -.6982316E-13 14.76812
! Peng,Keng,TOTeng: -5504.551 6.717048 -5497.834
! tempr,rms_dis: 51.95926 11.95905
! fmax,frms: 27.41429 11.87715
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0198
! ===========================
!
! Mom & Angular mom: .47E-16 .61E-16 -.40E-15 4.4 -73. .20E-04
! Center: .2026638E-12 -.6875241E-13 14.76812
! Peng,Keng,TOTeng: -5504.521 6.708055 -5497.813
! tempr,rms_dis: 51.88969 12.02470
! fmax,frms: 27.45617 11.78478
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0199
! ===========================
!
! Mom & Angular mom: .49E-16 .14E-15 -.35E-15 -47. -.13E+03 .14E-04
! Center: .2048411E-12 -.6615942E-13 14.76812
! Peng,Keng,TOTeng: -5504.520 6.698111 -5497.821
! tempr,rms_dis: 51.81277 12.07428
! fmax,frms: 24.18273 11.84333
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0200
! ===========================
!
! Mom & Angular mom: -.10E-15 .10E-15 -.48E-15 -29. -.14E+03 -.12E-04
! Center: .2048917E-12 -.5968066E-13 14.76812
! Peng,Keng,TOTeng: -5504.511 6.725239 -5497.786
! tempr,rms_dis: 52.02262 12.14087
! fmax,frms: 30.16017 11.51612
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0201
! ===========================
!
! Mom & Angular mom: .31E-16 .98E-16 -.50E-15 -34. 2.8 -.61E-07
! Center: .2036001E-12 -.5464024E-13 14.76812
! Peng,Keng,TOTeng: -5504.545 6.697183 -5497.848
! tempr,rms_dis: 51.80560 12.18769
! fmax,frms: 25.44652 11.87589
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0202
! ===========================
!
! Mom & Angular mom: .84E-16 .50E-16 -.53E-15 51. -60. -.18E-04
! Center: .2053444E-12 -.5049541E-13 14.76812
! Peng,Keng,TOTeng: -5504.551 6.704683 -5497.846
! tempr,rms_dis: 51.86361 12.25276
! fmax,frms: 24.50718 11.36836
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! ===========================
! Frame 0203
! ===========================
!
! Mom & Angular mom: .18E-15 -.27E-16 -.37E-15 -21. -94. -.20E-04
! Center: .2088367E-12 -.4746327E-13 14.76812
! Peng,Keng,TOTeng: -5504.552 6.684355 -5497.868
! tempr,rms_dis: 51.70636 12.31013
! fmax,frms: 23.18339 11.86310
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0204
! ===========================
!
! Mom & Angular mom: .34E-17 -.85E-16 -.37E-15 -26. -39. -.18E-04
! Center: .2121266E-12 -.5034491E-13 14.76812
! Peng,Keng,TOTeng: -5504.542 6.693778 -5497.848
! tempr,rms_dis: 51.77926 12.37063
! fmax,frms: 26.58197 11.81429
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0205
! ===========================
!
! Mom & Angular mom: .13E-15 -.22E-15 -.44E-15 13. -66. -.47E-04
! Center: .2128396E-12 -.5278247E-13 14.76812
! Peng,Keng,TOTeng: -5504.519 6.714320 -5497.804
! tempr,rms_dis: 51.93816 12.43621
! fmax,frms: 29.68517 11.38310
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0206
! ===========================
!
! Mom & Angular mom: .23E-15 -.82E-16 -.35E-15 -63. -.11E+03 .29E-04
! Center: .2184537E-12 -.5605393E-13 14.76812
! Peng,Keng,TOTeng: -5504.531 6.710478 -5497.820
! tempr,rms_dis: 51.90844 12.49413
! fmax,frms: 26.24057 12.01686
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0207
! ===========================
!
! Mom & Angular mom: .19E-15 -.89E-16 -.13E-15 -48. -81. .71E-06
! Center: .2253629E-12 -.6022096E-13 14.76812
! Peng,Keng,TOTeng: -5504.563 6.705513 -5497.857
! tempr,rms_dis: 51.87003 12.54641
! fmax,frms: 28.13183 12.07155
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0208
! ===========================
!
! Mom & Angular mom: -.20E-16 -.69E-16 -.24E-15 8.9 -78. -.17E-04
! Center: .2289995E-12 -.6582636E-13 14.76812
! Peng,Keng,TOTeng: -5504.539 6.698335 -5497.841
! tempr,rms_dis: 51.81451 12.62917
! fmax,frms: 25.39076 11.42055
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0209
! ===========================
!
! Mom & Angular mom: -.92E-16 -.30E-16 -.13E-15 -8.1 -.15E+03 .17E-04
! Center: .2269395E-12 -.6637900E-13 14.76812
! Peng,Keng,TOTeng: -5504.549 6.699413 -5497.850
! tempr,rms_dis: 51.82285 12.68743
! fmax,frms: 26.40986 11.94950
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0210
! ===========================
!
! Mom & Angular mom: -.17E-15 -.11E-15 -.15E-15 -75. -.12E+03 .27E-04
! Center: .2229809E-12 -.6790124E-13 14.76812
! Peng,Keng,TOTeng: -5504.570 6.677526 -5497.893
! tempr,rms_dis: 51.65354 12.74427
! fmax,frms: 24.79127 11.47669
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0211
! ===========================
!
! Mom & Angular mom: -.25E-15 -.53E-16 -.10E-15 -69. -32. .13E-05
! Center: .2183870E-12 -.7070394E-13 14.76812
! Peng,Keng,TOTeng: -5504.534 6.688393 -5497.845
! tempr,rms_dis: 51.73760 12.80405
! fmax,frms: 24.86558 11.54960
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0212
! ===========================
!
! Mom & Angular mom: -.20E-15 -.14E-15 .14E-16 -73. 9.3 -.29E-04
! Center: .2121649E-12 -.7490305E-13 14.76812
! Peng,Keng,TOTeng: -5504.508 6.711571 -5497.797
! tempr,rms_dis: 51.91689 12.86284
! fmax,frms: 25.89166 11.87102
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0213
! ===========================
!
! Mom & Angular mom: -.12E-15 -.17E-15 -.17E-15 -25. -69. .25E-04
! Center: .2069382E-12 -.7890972E-13 14.76812
! Peng,Keng,TOTeng: -5504.567 6.654599 -5497.912
! tempr,rms_dis: 51.47619 12.90809
! fmax,frms: 25.02018 12.05879
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0214
! ===========================
!
! Mom & Angular mom: -.18E-15 -.77E-16 -.55E-16 -36. -70. -.42E-04
! Center: .2021975E-12 -.8481857E-13 14.76812
! Peng,Keng,TOTeng: -5504.530 6.694462 -5497.836
! tempr,rms_dis: 51.78454 12.98003
! fmax,frms: 27.65292 11.80483
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0215
! ===========================
!
! Mom & Angular mom: -.32E-15 .29E-16 -.72E-16 -52. -.17E+03 -.25E-04
! Center: .1952734E-12 -.8378730E-13 14.76812
! Peng,Keng,TOTeng: -5504.510 6.703356 -5497.807
! tempr,rms_dis: 51.85334 13.02858
! fmax,frms: 24.14364 11.41611
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0216
! ===========================
!
! Mom & Angular mom: -.19E-15 .26E-16 -.16E-15 -19. -29. -.15E-04
! Center: .1872798E-12 -.8426593E-13 14.76812
! Peng,Keng,TOTeng: -5504.530 6.702883 -5497.827
! tempr,rms_dis: 51.84969 13.11790
! fmax,frms: 23.90984 11.48200
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0217
! ===========================
!
! Mom & Angular mom: -.13E-15 .59E-16 .28E-17 -92. -57. -.37E-04
! Center: .1856638E-12 -.8138428E-13 14.76812
! Peng,Keng,TOTeng: -5504.527 6.705459 -5497.822
! tempr,rms_dis: 51.86961 13.16589
! fmax,frms: 27.23766 11.80422
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0218
! ===========================
!
! Mom & Angular mom: -.38E-16 .15E-15 -.20E-16 -56. -38. -.11E-04
! Center: .1841305E-12 -.7746149E-13 14.76812
! Peng,Keng,TOTeng: -5504.530 6.717511 -5497.813
! tempr,rms_dis: 51.96284 13.22220
! fmax,frms: 26.74945 11.55403
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0219
! ===========================
!
! Mom & Angular mom: -.88E-16 .19E-15 .28E-16 -8.5 -68. -.13E-04
! Center: .1819236E-12 -.7212749E-13 14.76812
! Peng,Keng,TOTeng: -5504.565 6.691334 -5497.874
! tempr,rms_dis: 51.76035 13.28885
! fmax,frms: 30.93361 11.62478
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0220
! ===========================
!
! Mom & Angular mom: -.22E-15 .21E-15 .65E-16 -.10E+03 1.2 .47E-05
! Center: .1773631E-12 -.6585596E-13 14.76812
! Peng,Keng,TOTeng: -5504.544 6.695298 -5497.849
! tempr,rms_dis: 51.79102 13.34751
! fmax,frms: 26.81049 11.60541
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0221
! ===========================
!
! Mom & Angular mom: -.20E-15 .14E-15 .40E-17 .73 20. .43E-04
! Center: .1702663E-12 -.6056883E-13 14.76812
! Peng,Keng,TOTeng: -5504.529 6.703139 -5497.825
! tempr,rms_dis: 51.85167 13.40471
! fmax,frms: 34.34464 12.16588
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0222
! ===========================
!
! Mom & Angular mom: -.33E-15 .95E-16 -.89E-16 -69. -61. -.96E-06
! Center: .1624799E-12 -.5739606E-13 14.76812
! Peng,Keng,TOTeng: -5504.566 6.661051 -5497.905
! tempr,rms_dis: 51.52610 13.46573
! fmax,frms: 26.67054 11.78712
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0223
! ===========================
!
! Mom & Angular mom: -.33E-15 .69E-16 -.83E-16 -35. -34. .96E-06
! Center: .1543777E-12 -.5793390E-13 14.76812
! Peng,Keng,TOTeng: -5504.539 6.683550 -5497.855
! tempr,rms_dis: 51.70014 13.53413
! fmax,frms: 25.70532 11.66238
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0224
! ===========================
!
! Mom & Angular mom: -.20E-15 .15E-15 -.11E-15 -14. -88. .24E-04
! Center: .1483098E-12 -.5297491E-13 14.76812
! Peng,Keng,TOTeng: -5504.550 6.681189 -5497.869
! tempr,rms_dis: 51.68187 13.58836
! fmax,frms: 27.80683 11.72576
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0225
! ===========================
!
! Mom & Angular mom: -.13E-15 .24E-15 -.75E-16 -51. .35 .28E-04
! Center: .1428832E-12 -.4585715E-13 14.76812
! Peng,Keng,TOTeng: -5504.524 6.715318 -5497.809
! tempr,rms_dis: 51.94588 13.65579
! fmax,frms: 26.61726 11.83482
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0226
! ===========================
!
! Mom & Angular mom: -.13E-15 .14E-15 -.55E-16 -21. -.15E+03 -.26E-04
! Center: .1396883E-12 -.4051574E-13 14.76812
! Peng,Keng,TOTeng: -5504.508 6.720462 -5497.788
! tempr,rms_dis: 51.98567 13.70418
! fmax,frms: 25.96165 11.72413
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0227
! ===========================
!
! Mom & Angular mom: -.22E-15 .32E-15 .41E-17 51. -.12E+03 .32E-05
! Center: .1362675E-12 -.3347939E-13 14.76812
! Peng,Keng,TOTeng: -5504.527 6.679985 -5497.847
! tempr,rms_dis: 51.67256 13.76480
! fmax,frms: 25.61715 11.65417
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0228
! ===========================
!
! Mom & Angular mom: -.25E-15 .21E-15 .20E-16 -40. -.12E+03 -.23E-04
! Center: .1319623E-12 -.2351452E-13 14.76812
! Peng,Keng,TOTeng: -5504.540 6.674896 -5497.865
! tempr,rms_dis: 51.63320 13.83666
! fmax,frms: 27.37964 11.60483
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0229
! ===========================
!
! Mom & Angular mom: -.18E-15 .36E-15 .30E-17 -14. -69. .29E-05
! Center: .1254429E-12 -.1590580E-13 14.76812
! Peng,Keng,TOTeng: -5504.529 6.695053 -5497.834
! tempr,rms_dis: 51.78912 13.89488
! fmax,frms: 23.70644 11.51008
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0230
! ===========================
!
! Mom & Angular mom: -.20E-15 .30E-15 .73E-16 -.12E+03 -.10E+03 .23E-04
! Center: .1202828E-12 -.4201577E-14 14.76812
! Peng,Keng,TOTeng: -5504.513 6.727413 -5497.785
! tempr,rms_dis: 52.03944 13.96415
! fmax,frms: 22.37182 11.26155
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0231
! ===========================
!
! Mom & Angular mom: -.71E-16 .32E-15 .19E-16 -78. -30. -.10E-04
! Center: .1155742E-12 .3190041E-14 14.76812
! Peng,Keng,TOTeng: -5504.524 6.712003 -5497.812
! tempr,rms_dis: 51.92023 14.01903
! fmax,frms: 31.47496 11.64419
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0232
! ===========================
!
! Mom & Angular mom: -.91E-16 .33E-15 .23E-16 5.1 6.0 -.56E-05
! Center: .1123644E-12 .1121819E-13 14.76812
! Peng,Keng,TOTeng: -5504.528 6.687913 -5497.841
! tempr,rms_dis: 51.73389 14.07010
! fmax,frms: 26.11062 11.47277
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0233
! ===========================
!
! Mom & Angular mom: -.20E-15 .18E-15 .55E-16 -67. -27. .19E-04
! Center: .1071415E-12 .1897988E-13 14.76812
! Peng,Keng,TOTeng: -5504.545 6.692527 -5497.853
! tempr,rms_dis: 51.76958 14.13478
! fmax,frms: 25.83515 11.43930
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0234
! ===========================
!
! Mom & Angular mom: -.13E-15 .20E-15 -.22E-16 -39. -81. .99E-05
! Center: .1048470E-12 .2489613E-13 14.76812
! Peng,Keng,TOTeng: -5504.540 6.703983 -5497.836
! tempr,rms_dis: 51.85820 14.21047
! fmax,frms: 27.74803 11.85023
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0235
! ===========================
!
! Mom & Angular mom: -.99E-16 .92E-16 .48E-16 -31. -51. .92E-05
! Center: .1029855E-12 .3010925E-13 14.76812
! Peng,Keng,TOTeng: -5504.551 6.720947 -5497.830
! tempr,rms_dis: 51.98942 14.26909
! fmax,frms: 26.73561 11.85574
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0236
! ===========================
!
! Mom & Angular mom: -.19E-15 .14E-15 -.12E-15 -42. -66. .42E-05
! Center: .9604293E-13 .3248759E-13 14.76812
! Peng,Keng,TOTeng: -5504.536 6.675546 -5497.861
! tempr,rms_dis: 51.63823 14.33313
! fmax,frms: 27.46654 11.89490
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0237
! ===========================
!
! Mom & Angular mom: -.11E-15 .10E-15 .49E-16 -92. -13. -.12E-04
! Center: .9171306E-13 .3567517E-13 14.76812
! Peng,Keng,TOTeng: -5504.554 6.697325 -5497.857
! tempr,rms_dis: 51.80669 14.39289
! fmax,frms: 24.17218 11.58245
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0238
! ===========================
!
! Mom & Angular mom: -.42E-16 -.10E-15 .68E-17 -44. -.13E+03 .78E-05
! Center: .8797654E-13 .3500163E-13 14.76812
! Peng,Keng,TOTeng: -5504.526 6.713233 -5497.813
! tempr,rms_dis: 51.92975 14.42906
! fmax,frms: 24.16780 11.96183
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0239
! ===========================
!
! Mom & Angular mom: -.43E-16 .68E-16 -.99E-16 -56. -.11E+03 -.78E-05
! Center: .8669608E-13 .3483140E-13 14.76812
! Peng,Keng,TOTeng: -5504.516 6.699569 -5497.816
! tempr,rms_dis: 51.82406 14.50180
! fmax,frms: 26.65241 11.66431
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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!
! ===========================
! Frame 0240
! ===========================
!
! Mom & Angular mom: .43E-16 .59E-16 -.14E-15 -61. -.18E+03 .80E-05
! Center: .8428566E-13 .3585034E-13 14.76812
! Peng,Keng,TOTeng: -5504.527 6.725785 -5497.802
! tempr,rms_dis: 52.02684 14.55906
! fmax,frms: 31.04862 11.75927
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0241
! ===========================
!
! Mom & Angular mom: .17E-16 .37E-16 -.11E-15 -26. -.12E+03 -.22E-05
! Center: .8548224E-13 .3617847E-13 14.76812
! Peng,Keng,TOTeng: -5504.524 6.708431 -5497.815
! tempr,rms_dis: 51.89260 14.63364
! fmax,frms: 30.49327 11.67556
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0242
! ===========================
!
! Mom & Angular mom: .18E-17 -.77E-16 -.15E-15 -15. -7.7 .26E-05
! Center: .8680094E-13 .3632156E-13 14.76812
! Peng,Keng,TOTeng: -5504.514 6.724103 -5497.790
! tempr,rms_dis: 52.01384 14.71295
! fmax,frms: 28.73321 12.29295
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0243
! ===========================
!
! Mom & Angular mom: .11E-15 -.29E-16 -.17E-15 -58. -31. .11E-04
! Center: .9077677E-13 .3316606E-13 14.76812
! Peng,Keng,TOTeng: -5504.562 6.702255 -5497.860
! tempr,rms_dis: 51.84483 14.74731
! fmax,frms: 26.21175 11.57253
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0244
! ===========================
!
! Mom & Angular mom: .31E-16 -.73E-16 -.25E-15 22. -.11E+03 .23E-04
! Center: .9151445E-13 .3123674E-13 14.76812
! Peng,Keng,TOTeng: -5504.518 6.689241 -5497.828
! tempr,rms_dis: 51.74416 14.82962
! fmax,frms: 24.03453 11.25237
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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! Mom & Angular mom: -.13E-17 -.13E-15 -.28E-15 -33. -15. .19E-04
! Center: .9098031E-13 .2692908E-13 14.76812
! Peng,Keng,TOTeng: -5504.535 6.690157 -5497.845
! tempr,rms_dis: 51.75125 14.87135
! fmax,frms: 26.87645 11.64716
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0246
! ===========================
!
! Mom & Angular mom: -.31E-18 -.13E-15 -.22E-15 3.6 -.12E+03 -.51E-05
! Center: .9141946E-13 .2209344E-13 14.76812
! Peng,Keng,TOTeng: -5504.502 6.721785 -5497.781
! tempr,rms_dis: 51.99590 14.93356
! fmax,frms: 32.11633 12.09751
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0247
! ===========================
!
! Mom & Angular mom: -.59E-16 -.22E-15 -.11E-15 49. -70. .21E-05
! Center: .8918545E-13 .1453899E-13 14.76812
! Peng,Keng,TOTeng: -5504.528 6.692282 -5497.836
! tempr,rms_dis: 51.76768 14.99451
! fmax,frms: 23.48659 11.86093
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0248
! ===========================
!
! Mom & Angular mom: -.65E-16 -.27E-15 .15E-16 -18. -70. -.13E-04
! Center: .8544400E-13 .8299534E-14 14.76812
! Peng,Keng,TOTeng: -5504.567 6.658601 -5497.908
! tempr,rms_dis: 51.50715 15.06084
! fmax,frms: 29.35641 11.33398
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0249
! ===========================
!
! Mom & Angular mom: .23E-16 -.19E-15 .47E-16 -16. -.13E+03 .38E-07
! Center: .8577460E-13 .3789561E-14 14.76812
! Peng,Keng,TOTeng: -5504.519 6.682207 -5497.836
! tempr,rms_dis: 51.68975 15.12460
! fmax,frms: 26.26459 11.90212
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
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!
! ===========================
! Frame 0250
! ===========================
!
! Mom & Angular mom: -.60E-16 .61E-17 -.32E-16 -39. -76. -.11E-05
! Center: .8508503E-13 .7500173E-15 14.76812
! Peng,Keng,TOTeng: -5504.533 6.693899 -5497.839
! tempr,rms_dis: 51.78020 15.18781
! fmax,frms: 23.57940 11.83809
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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! ===========================
! Frame 0251
! ===========================
!
! Mom & Angular mom: .40E-16 .36E-16 -.16E-15 -22. -50. -.79E-05
! Center: .8349001E-13 .2551046E-14 14.76812
! Peng,Keng,TOTeng: -5504.541 6.686187 -5497.854
! tempr,rms_dis: 51.72054 15.24957
! fmax,frms: 23.98327 11.78258
!
TITLE = "XYZ"
VARIABLES = "X" "Y" "Z" "VMAG"
ZONE T="MOLECULAR",I= 360 F=POINT
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