23 lines
2.1 KiB
Plaintext
23 lines
2.1 KiB
Plaintext
## Time[ps] Etot[eV] Epot[eV] Ekin[eV] <Etot> <Edelta> <Temp[K]>
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5.0000 -203.4017260 -215.6846871 12.2829610 -203.4070653 3.2149 1146.2147
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10.0000 -203.4092565 -218.3867548 14.9774983 -203.4069738 3.2149 1148.9639
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15.0000 -203.4112020 -217.3659309 13.9547290 -203.4072083 3.2149 1148.7491
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20.0000 -203.4099297 -217.3337018 13.9237721 -203.4067388 3.2150 1143.0318
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25.0000 -203.4014529 -216.5353344 13.1338815 -203.4071508 3.2149 1161.1787
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30.0000 -203.4015932 -215.8907675 12.4891742 -203.4061338 3.2150 1123.3425
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35.0000 -203.4076202 -217.3911181 13.9834979 -203.4062118 3.2150 1098.7339
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40.0000 -203.4083412 -216.9365226 13.5281813 -203.4069638 3.2149 1167.1429
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45.0000 -203.4030494 -215.7388898 12.3358404 -203.4070779 3.2149 1171.9517
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50.0000 -203.4092285 -217.4018527 13.9926242 -203.4069164 3.2149 1160.5290
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55.0000 -235.6706987 -235.6836474 0.0129487 -233.8278378 1.7113 22.0187
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60.0000 -235.9178279 -235.9195824 0.0017545 -235.8018349 1.6137 0.3894
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65.0000 -236.0416579 -236.0417797 0.0001218 -235.9986208 1.6040 0.1809
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70.0000 -236.0464348 -236.0464720 0.0000371 -236.0447438 1.6017 0.0064
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75.0000 -236.0483122 -236.0483614 0.0000492 -236.0473387 1.6016 0.0028
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80.0000 -236.0551260 -236.0553927 0.0002667 -236.0509569 1.6014 0.0103
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85.0000 -236.0946437 -236.0956504 0.0010067 -236.0671866 1.6006 0.0611
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90.0000 -236.7460393 -236.7615287 0.0154894 -236.3967649 1.5843 1.2047
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95.0000 -237.0525030 -237.0525757 0.0000727 -236.9748390 1.5558 0.4580
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100.0000 -237.0532833 -237.0532834 0.0000001 -237.0531717 1.5519 0.0009
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105.0000 -237.0532847 -237.0532847 0.0000000 -237.0532845 1.5519 0.0000
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