1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
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DL_POLY: Order of atoms is all mixed up
2 3 3 3 2606
timestep 1 3 2 3 0.005000 0.005000
18.6796195135 0.0000058913 -0.0000139999
0.0000058913 18.6794658887 -0.0000016255
-0.0000139999 -0.0000016255 18.6797229304
A 3 39.098300 0.994000 0.021489
-7.796155105 -4.631182485 -4.739367942
3.719009078 -0.7561792629E-02 -2.154223038
558.7749493 -630.1416046 1768.434204
C 1 39.098300 0.994000 0.025528
-7.595541651 -7.898808509 -7.861763110
1.109901682 -1.500264697 4.752251711
-2621.386432 1579.334443 1041.103241
B 2 39.098300 0.994000 0.008010
-4.679056997 -4.499669764 -7.812461299
-0.8554302522 0.7691913403 -1.115022798
1011.950320 -7374.739828 1386.138986
timestep 11 3 2 3 0.005000 0.055000
17.2277221163 -0.0044216126 -0.0003229237
-0.0044205826 17.2124253987 0.0019439244
-0.0003226531 0.0019445826 17.2416976104
A 3 39.098300 0.994000 0.172170
-7.038056261 -4.266796186 -4.357029396
1.471922627 0.3736276180 3.760155353
-3173.746026 924.4000162 6085.768912
B 2 39.098300 0.994000 0.190656
-4.305129346 -4.311665694 -7.263118543
1.446307199 -5.078445816 -2.207040369
2260.777412 1592.505823 -3901.063517
C 1 39.098300 0.994000 0.238483
-7.019565641 -7.264933320 -7.045213551
-1.398479696 2.091141311 1.957430003
-1472.262341 2450.379615 -8149.916193
timestep 21 3 2 3 0.005000 0.105000
16.5435673205 -0.0108424742 0.0014935464
-0.0108333201 16.5270298891 0.0011094612
0.0014948739 0.0011058349 16.5725517831
A 3 39.098300 0.994000 0.205267
-6.754231780 -4.094120050 -4.080428317
-0.3074678162 -0.9268565241 -2.049816710
-188.4285042 -2052.644364 -7501.860785
C 1 39.098300 0.994000 0.118213
-6.787470785 -6.912685099 -6.922156843
0.2570827995 -0.7146878577 -3.547444215
2471.802059 -3828.467296 3596.679326
B 2 39.098300 0.994000 0.208665
-4.116170546 -4.137749936 -7.060122217
-2.391057135 3.935515414 0.7429629567
-6108.507824 3458.434306 3905.927758
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