29 lines
2.6 KiB
Plaintext
29 lines
2.6 KiB
Plaintext
## Time[ps] Etot[eV] Epot[eV] Ekin[eV] <Etot> <Edelta> <Temp[K]>
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5.0000 -131.9062982 -141.4189797 9.5126816 -131.9096216 3.1002 1233.6460
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10.0000 -131.9048526 -141.7852243 9.8803717 -131.9096049 3.1002 1270.4157
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15.0000 -131.9142092 -141.6323994 9.7181902 -131.9095710 3.1002 1229.0530
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20.0000 -131.9060677 -141.3566962 9.4506284 -131.9091966 3.1002 1223.8584
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25.0000 -131.9089819 -141.5734567 9.6644748 -131.9097673 3.1002 1245.1535
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30.0000 -131.9089522 -141.1409491 9.2319969 -131.9093749 3.1002 1227.0906
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35.0000 -131.9075784 -140.8428763 8.9352978 -131.9096007 3.1002 1228.0576
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40.0000 -131.9107795 -140.8604345 8.9496549 -131.9092917 3.1002 1226.3890
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45.0000 -131.9061275 -141.0878469 9.1817195 -131.9094407 3.1002 1243.1163
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50.0000 -131.9099971 -141.3449960 9.4349989 -131.9095318 3.1002 1247.3793
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55.0000 -154.7489252 -154.7872364 0.0383112 -153.5604696 1.7030 23.5649
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60.0000 -155.6319363 -155.6378643 0.0059280 -155.1980338 1.5973 1.9075
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65.0000 -156.0209077 -156.0211002 0.0001926 -155.8589771 1.5547 0.9388
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70.0000 -156.0243431 -156.0243509 0.0000077 -156.0234408 1.5440 0.0073
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75.0000 -156.0246137 -156.0246156 0.0000018 -156.0245180 1.5440 0.0006
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80.0000 -156.0246801 -156.0246807 0.0000005 -156.0246526 1.5440 0.0002
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85.0000 -156.0247071 -156.0247074 0.0000004 -156.0246949 1.5440 0.0001
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90.0000 -156.0247248 -156.0247251 0.0000003 -156.0247162 1.5440 0.0000
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95.0000 -156.0247412 -156.0247415 0.0000003 -156.0247328 1.5440 0.0000
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100.0000 -156.0247656 -156.0247661 0.0000005 -156.0247519 1.5440 0.0001
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105.0000 -156.0248248 -156.0248259 0.0000011 -156.0247911 1.5440 0.0001
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110.0000 -156.0250110 -156.0250148 0.0000038 -156.0248963 1.5440 0.0004
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115.0000 -156.0258045 -156.0258539 0.0000494 -156.0252827 1.5439 0.0019
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120.0000 -156.1008896 -156.1010529 0.0001633 -156.0647139 1.5414 0.2090
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125.0000 -156.1025320 -156.1025336 0.0000017 -156.1021948 1.5390 0.0032
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130.0000 -156.1025564 -156.1025564 0.0000000 -156.1025507 1.5389 0.0001
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135.0000 -156.1025569 -156.1025569 0.0000000 -156.1025568 1.5389 0.0000
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