22 lines
2.0 KiB
Plaintext
22 lines
2.0 KiB
Plaintext
## Time[ps] Etot[eV] Epot[eV] Ekin[eV] <Etot> <Edelta> <Temp[K]>
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5.0000 -216.5747775 -228.1611260 11.5863484 -216.5790843 3.0581 1049.7367
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10.0000 -216.5769635 -228.5568821 11.9799186 -216.5795378 3.0581 1050.5359
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15.0000 -216.5719903 -228.4120282 11.8400379 -216.5789380 3.0582 1045.1813
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20.0000 -216.5744579 -229.4837995 12.9093416 -216.5787680 3.0582 1027.6382
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25.0000 -216.5851429 -230.6831469 14.0980040 -216.5788011 3.0582 1023.2515
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30.0000 -216.5764922 -229.4986718 12.9221796 -216.5792865 3.0581 1040.6263
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35.0000 -216.5791254 -229.4290590 12.8499336 -216.5790167 3.0582 1042.2132
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40.0000 -216.5773013 -230.9102437 14.3329423 -216.5786911 3.0582 1018.6207
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45.0000 -216.5762447 -229.2378962 12.6616515 -216.5791926 3.0581 1048.3243
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50.0000 -216.5759854 -228.8459344 12.2699490 -216.5794758 3.0581 1067.1355
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55.0000 -247.2996971 -247.3071971 0.0074999 -245.9451411 1.6477 18.7680
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60.0000 -247.4187030 -247.4271735 0.0084705 -247.3620815 1.5796 0.1816
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65.0000 -247.6868932 -247.7088619 0.0219686 -247.5900522 1.5687 0.3756
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70.0000 -248.2275206 -248.2283901 0.0008695 -248.0626480 1.5460 0.7977
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75.0000 -248.2354043 -248.2355696 0.0001653 -248.2334271 1.5378 0.0088
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80.0000 -248.2434631 -248.2434786 0.0000154 -248.2404848 1.5374 0.0102
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85.0000 -248.2441322 -248.2441370 0.0000048 -248.2438834 1.5373 0.0007
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90.0000 -248.2442592 -248.2442599 0.0000007 -248.2442143 1.5373 0.0001
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95.0000 -248.2442766 -248.2442767 0.0000001 -248.2442706 1.5373 0.0000
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100.0000 -248.2442789 -248.2442789 0.0000000 -248.2442781 1.5373 0.0000
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