1---
2lammps_version: 10 Feb 2021
3date_generated: Fri Feb 26 23:09:23 2021
4epsilon: 2.5e-13
5prerequisites: ! |
6  atom full
7  angle class2
8pre_commands: ! ""
9post_commands: ! ""
10input_file: in.fourmol
11angle_style: class2
12angle_coeff: ! |
13  1  110.1  75.0  5.2  1.0
14  2  111.0  45.0  2.0  0.5
15  3  120.0  50.0  3.0  1.1
16  4  108.5  90.0  4.0  0.1
17  *  bb  0.0 1.0  1.0
18  2  bb  10.0 1.5  1.5
19  3  bb  15.0 1.2  1.2
20  *  ba   0.0 0.0 1.5 1.5
21  1  ba  20.0  0.0 1.5 1.5
22  3  ba  10.0 10.0 1.5 1.5
23  4  ba   0.0 20.0 1.5 1.5
24equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474
25extract: ! ""
26natoms: 29
27init_energy: 45.6315872862689
28init_stress: ! |2-
29   1.0380900034455654e+02 -8.5596888576343744e+01  1.0543371457027396e+01  9.3533772092305199e+01 -3.0453078736699425e+01  1.6197471265279837e+00
30init_forces: ! |2
31    1  4.7202113476907201e+01  9.2452097148049379e+00 -2.1894202744712533e+01
32    2 -1.7062797644104073e+00 -1.3815331678107317e+01 -1.1109216556988997e+01
33    3 -1.0818552868961547e+01  4.2757153900854306e+01  4.0134050204129267e+01
34    4 -1.6107291199158311e+01 -2.0450831607561582e+01  1.2394641799374179e+01
35    5 -4.1997303662023540e+01 -4.1453062742803219e+01 -1.7536792897035419e+01
36    6  5.6639792403457349e+01 -1.3580769610788053e+01 -3.9712060060785255e+01
37    7 -1.8054439727078506e+01  1.6983062508083172e+01  1.5587306726806713e+00
38    8 -1.0525801597483865e+01 -1.5574411954009244e+01  8.4303126221362277e+01
39    9 -1.4606126670427546e+01  1.7088847325775880e+01  3.5265027966992148e+00
40   10 -9.2168170333014618e+00  2.5310906045489432e+01 -6.6219876033939016e+01
41   11 -2.0537012066379056e+01 -7.0930129287428976e+00  7.5068656204459945e+00
42   12 -2.8436344574011141e-01 -6.5767250423083183e+00 -7.8126221608778286e+00
43   13  3.1055904718024561e+00  8.1431271170459514e+00 -1.2597779054058647e+00
44   14  1.6321646299623836e+01 -6.4737292023940052e+00 -6.0969666237587319e+00
45   15  1.2014703003264437e+01 -4.7819952969181587e+00  1.5497667618539472e+01
46   16  9.3845211462413065e+00  9.2380044230210405e+00  6.9332654848904189e+00
47   17 -8.1437876633224571e-01  1.0335590285580882e+00 -2.1333543461785509e-01
48   18  4.7908728028679270e-01  1.6800089801308631e+00 -5.5268875505867383e+00
49   19 -2.0533806941129176e+00 -2.3525964439530416e+00  2.1320670955883561e+00
50   20  1.5742934138261249e+00  6.7258746382217860e-01  3.3948204549983823e+00
51   21  3.9487378529081880e+00  4.3175316427012014e+00 -1.1481919601133793e+01
52   22 -6.5477089696018744e+00 -4.1918690971369452e+00  3.4304260006102911e+00
53   23  2.5989711166936864e+00 -1.2566254556425660e-01  8.0514936005235018e+00
54   24 -8.4094048868779181e-01  4.6838060982897600e+00 -2.5056979703433946e+00
55   25 -1.3589399152326838e+00 -3.2194810517526529e+00  2.1726606908305435e-01
56   26  2.1998804039204756e+00 -1.4643250465371074e+00  2.2884319012603402e+00
57   27 -1.3120258950869723e-01  2.3248353742613195e+00 -7.0687277526256109e-01
58   28 -7.9798149428972343e-01 -1.3623378004463826e+00 -7.5274691791676882e-02
59   29  9.2918408379842066e-01 -9.6249757381493684e-01  7.8214746705423799e-01
60run_energy: 45.4459195202412
61run_stress: ! |2-
62   1.0224296939567702e+02 -8.5149951148281033e+01  1.1077450496851872e+01  9.2245165502849829e+01 -3.1084418227269154e+01  5.2366663320491313e-01
63run_forces: ! |2
64    1  4.6696948163060675e+01  9.5469544165543052e+00 -2.1330948302985508e+01
65    2 -1.7341210851964273e+00 -1.4128897827282087e+01 -1.1408863992275160e+01
66    3 -1.0105551089272240e+01  4.2277702428791336e+01  3.9657670069675063e+01
67    4 -1.6122111935066883e+01 -2.0098532812588481e+01  1.2653235408843411e+01
68    5 -4.2111565648427224e+01 -4.1283493356078523e+01 -1.7589964848850386e+01
69    6  5.6633343610296642e+01 -1.3630420678353568e+01 -3.9740642386699271e+01
70    7 -1.8067962126721181e+01  1.7005582120491120e+01  1.5568169485445109e+00
71    8 -1.0459403976386902e+01 -1.5611162457913967e+01  8.4226500676174069e+01
72    9 -1.4631300686651667e+01  1.7116506905325277e+01  3.5366459989463483e+00
73   10 -9.1067423535925318e+00  2.5083637022662394e+01 -6.6120603070314331e+01
74   11 -2.0531188000382802e+01 -7.0572039110412836e+00  7.4976926119744087e+00
75   12 -4.5804053460484440e-01 -6.7408368318088137e+00 -7.3612432437675679e+00
76   13  3.0256565331949181e+00  7.9773964875310250e+00 -1.1599249084139895e+00
77   14  1.6325797226942768e+01 -6.0364594808671850e+00 -6.0596304628457736e+00
78   15  1.2032950547216590e+01 -4.6547008559207024e+00  1.4984306358892226e+01
79   16  9.4390365741788855e+00  9.1831264349550388e+00  6.8856125869099509e+00
80   17 -8.2574521858778427e-01  1.0508023955441044e+00 -2.2665944380799952e-01
81   18  4.1662989783566795e-01  1.4355996853101134e+00 -4.6916036738076876e+00
82   19 -1.7454972366844239e+00 -2.0016596312326365e+00  1.8125096846165301e+00
83   20  1.3288673388487560e+00  5.6605994592252307e-01  2.8790939891911576e+00
84   21  3.7257661846966093e+00  4.0481711597815977e+00 -1.0827752619904448e+01
85   22 -6.1593135050903065e+00 -3.9305106214838132e+00  3.2463364124342222e+00
86   23  2.4335473203936973e+00 -1.1766053829778456e-01  7.5814162074702249e+00
87   24 -7.6007405188534261e-01  4.2086623877720974e+00 -2.2508903613389659e+00
88   25 -1.2107922910240914e+00 -2.8924997143595577e+00  1.9797185345341334e-01
89   26  1.9708663429094340e+00 -1.3161626734125400e+00  2.0529185078855527e+00
90   27 -1.2690270648686752e-01  2.1785298399231308e+00 -6.5914069723159696e-01
91   28 -7.4337188418354749e-01 -1.2769741286441925e+00 -7.1075298614674390e-02
92   29  8.7027459067041502e-01 -9.0155571127893830e-01  7.3021599584627139e-01
93...
94