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/p6
8pre_commands: ! ""
9post_commands: ! ""
10input_file: in.fourmol
11angle_style: class2/p6
12angle_coeff: ! |
13  1  110.1  75.0  5.2  1.0 0.06 0.002
14  2  111.0  45.0  2.0  0.5 0.05 0.001
15  3  120.0  50.0  3.0  1.1 0.07 0.003
16  4  108.5  90.0  4.0  0.1 0.04 0.0
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: 45.6314933281677
28init_stress: ! |2-
29   1.0380655176146676e+02 -8.5598294304263064e+01  1.0547225768036466e+01  9.3533997442530364e+01 -3.0452940351933286e+01  1.6213985364060581e+00
30init_forces: ! |2
31    1  4.7202230480286389e+01  9.2446782757168187e+00 -2.1892853730746999e+01
32    2 -1.7062799943363052e+00 -1.3815333539761312e+01 -1.1109218053986531e+01
33    3 -1.0819442137600213e+01  4.2755643579721394e+01  4.0131978148937094e+01
34    4 -1.6107331786015202e+01 -2.0450833016170897e+01  1.2394698445624217e+01
35    5 -4.1996775288710346e+01 -4.1451276926607676e+01 -1.7536151963373857e+01
36    6  5.6640330905804802e+01 -1.3581373316126099e+01 -3.9714075413905050e+01
37    7 -1.8054191673295325e+01  1.6982840171711775e+01  1.5587849314106879e+00
38    8 -1.0524752828621686e+01 -1.5572494690475857e+01  8.4307006012653105e+01
39    9 -1.4606116746275049e+01  1.7088845087132931e+01  3.5265010989798085e+00
40   10 -9.2183983294618113e+00  2.5308833813269253e+01 -6.6220570658369525e+01
41   11 -2.0536178089795950e+01 -7.0922505905966178e+00  7.5061958159305595e+00
42   12 -2.8507497680544613e-01 -6.5761946491161254e+00 -7.8131884119322397e+00
43   13  3.1055913097859387e+00  8.1431291943766304e+00 -1.2597770427903630e+00
44   14  1.6321556949530429e+01 -6.4737931388148002e+00 -6.0969371866598330e+00
45   15  1.2014697273266693e+01 -4.7819939276460772e+00  1.5497663357748195e+01
46   16  9.3845137052789855e+00  9.2380146356987876e+00  6.9332800900251534e+00
47   17 -8.1437877303591466e-01  1.0335590376878656e+00 -2.1333543954444023e-01
48   18  4.7908727278798890e-01  1.6800089017685975e+00 -5.5268872325673071e+00
49   19 -2.0533806022955563e+00 -2.3525963295672470e+00  2.1320669593942201e+00
50   20  1.5742933295075674e+00  6.7258742779864933e-01  3.3948202731730870e+00
51   21  3.9487365123920992e+00  4.3175299645965515e+00 -1.1481914586060395e+01
52   22 -6.5477065825321601e+00 -4.1918674696340856e+00  3.4304242277121375e+00
53   23  2.5989700701400609e+00 -1.2566249496246562e-01  8.0514903583482571e+00
54   24 -8.4094044796366130e-01  4.6838059399926504e+00 -2.5056978760993669e+00
55   25 -1.3589398825660985e+00 -3.2194809423072277e+00  2.1726605118393005e-01
56   26  2.1998803305297598e+00 -1.4643249976854225e+00  2.2884318249154370e+00
57   27 -1.3120258888530634e-01  2.3248353691437700e+00 -7.0687277351935407e-01
58   28 -7.9798149292664289e-01 -1.3623377973865247e+00 -7.5274691862757134e-02
59   29  9.2918408181194923e-01 -9.6249757175724537e-01  7.8214746538211122e-01
60run_energy: 45.4458285940593
61run_stress: ! |2-
62   1.0224054425179162e+02 -8.5151354715203126e+01  1.1081280882090672e+01  9.2245389115064398e+01 -3.1084294543117402e+01  5.2530572051471558e-01
63run_forces: ! |2
64    1  4.6697063144899758e+01  9.5464292184313084e+00 -2.1329615486413495e+01
65    2 -1.7341213469343071e+00 -1.4128899311205867e+01 -1.1408865229626386e+01
66    3 -1.0106423829890657e+01  4.2276216760085092e+01  3.9655618981253937e+01
67    4 -1.6122153804166530e+01 -2.0098535935851185e+01  1.2653292967815302e+01
68    5 -4.2111045474433908e+01 -4.1281732299841927e+01 -1.7589329659171515e+01
69    6  5.6633872451307042e+01 -1.3631017853516695e+01 -3.9742648484553712e+01
70    7 -1.8067710814224181e+01  1.7005356519278848e+01  1.5568722867815019e+00
71    8 -1.0458368774535296e+01 -1.5609267760781632e+01  8.4230369919214809e+01
72    9 -1.4631291097137083e+01  1.7116505329041448e+01  3.5366441447941890e+00
73   10 -9.1083165882262076e+00  2.5081593622661249e+01 -6.6121298210985884e+01
74   11 -2.0530357257878578e+01 -7.0564447871249403e+00  7.4970247183653580e+00
75   12 -4.5873997835014801e-01 -6.7403152848189372e+00 -7.3618095936615644e+00
76   13  3.0256572433426814e+00  7.9773984059331964e+00 -1.1599242567025270e+00
77   14  1.6325706512702343e+01 -6.0365250687180749e+00 -6.0596004500231722e+00
78   15  1.2032945183866531e+01 -4.6546995895395877e+00  1.4984301967909428e+01
79   16  9.4390297519529085e+00  9.1831355042234861e+00  6.8856259318712949e+00
80   17 -8.2574532229437936e-01  1.0508025317442151e+00 -2.2665954686757872e-01
81   18  4.1662989358421232e-01  1.4355996421935044e+00 -4.6916034993533247e+00
82   19 -1.7454971864999060e+00 -2.0016595685522596e+00  1.8125096096904596e+00
83   20  1.3288672929156937e+00  5.6605992635875502e-01  2.8790938896628648e+00
84   21  3.7257651397379274e+00  4.0481698601097618e+00 -1.0827748711362894e+01
85   22 -6.1593116505043302e+00 -3.9305093611054267e+00  3.2463350269770475e+00
86   23  2.4335465107664027e+00 -1.1766049900433539e-01  7.5814136843858462e+00
87   24 -7.6007402633523591e-01  4.2086622887143186e+00 -2.2508903023980524e+00
88   25 -1.2107922707762828e+00 -2.8924996458903025e+00  1.9797184221876996e-01
89   26  1.9708662971115187e+00 -1.3161626428240165e+00  2.0529184601792827e+00
90   27 -1.2690270602781828e-01  2.1785298361926788e+00 -6.5914069596767511e-01
91   28 -7.4337188319492098e-01 -1.2769741264135199e+00 -7.1075298663885261e-02
92   29  8.7027458922273926e-01 -9.0155570977915866e-01  7.3021599463156039e-01
93...
94