TATB

# LAMMPS data file for TATB, C=1, H=2, N=3, O=4

48 atoms

4 atom types

0.0 9.0100002 xlo xhi

0.0 7.8208394 ylo yhi

0.0 6.2799835 zlo zhi

-4.5099058 -0.2163467 -2.6302741 xy xz yz

Atoms # atomic

1 1 4.0039892 0.6157662 1.6126998

2 1 0.2797589 4.5747996 4.667284

3 1 3.2979021 -0.633815 1.5618319

4 1 0.9858458 5.8243804 4.7181516

5 1 1.850422 -0.597057 1.5618319

6 1 2.4333253 5.7876225 4.7181516

7 1 1.125618 0.6432721 1.576904

8 1 3.1581295 4.5472932 4.7030797

9 1 1.8836404 1.874433 1.533572

10 1 2.4001072 3.3161321 4.7464118

11 1 3.3181224 1.8930212 1.5825559

12 1 0.9656254 3.2975445 4.6974278

13 2 0.2911904 6.0764542 1.4946361

14 2 3.9925574 -0.8858886 4.785347

15 2 -0.9970582 5.3225336 1.6327957

16 2 5.2808056 -0.1319681 4.6471877

17 2 8.3914776 0.0436068 1.5951159

18 2 -4.1077294 5.1469584 4.6848679

19 2 -0.7140951 1.584312 1.5951159

20 2 4.9978434 3.6062532 4.6848679

21 2 3.5484452 3.7691667 1.532316

22 2 0.7353031 1.4213988 4.7476673

23 2 4.9228316 2.9614798 1.4067164

24 2 -0.6390835 2.2290857 4.8732672

25 3 5.418499 0.6073885 1.6924556

26 3 -1.1347506 4.5831766 4.5875278

27 3 -0.5730459 6.0459318 1.5002882

28 3 4.8567934 -0.8553666 4.7796955

29 3 -3.3808844 6.0042996 1.549272

30 3 7.6646319 -0.8137342 4.7307115

31 3 -0.1926701 0.6686638 1.6189798

32 3 4.476418 4.5219016 4.6610041

33 3 1.1771375 3.1069512 1.4757961

34 3 3.1066103 2.0836141 4.8041873

35 3 3.9864724 3.0207932 1.5806719

36 3 0.2972748 2.1697722 4.6993113

37 4 6.0647354 1.6584783 1.7709555

38 4 -1.7809875 3.5320869 4.509028

39 4 6.0501466 -0.4623764 1.6585436

40 4 -1.7663982 5.6529417 4.62144

41 4 -2.7835779 4.9127202 1.4927521

42 4 7.0673261 0.2778452 4.7872315

43 4 4.390791 5.9843512 1.5856959

44 4 -0.1070432 -0.7937861 4.6942878

45 4 -0.0652603 3.1393848 1.4469083

46 4 4.3490081 2.0511808 4.8330755

47 4 1.7871714 4.2094131 1.4801921

48 4 2.4965763 0.9811526 4.7997914