element(s):
['C']
AFLOW prototype label:
A_oP16_62_4c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.80509054 0.25       0.07436885]
 [0.18951676 0.25       0.70009446]
 [0.5207376  0.25       0.90843723]
 [0.46345886 0.25       0.56850299]]
spacegroup =  62
cell =  [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:21     -110.844646         2.961433
BFGS:    1 17:10:22     -111.021248         1.976349
BFGS:    2 17:10:22     -111.102032         0.559827
BFGS:    3 17:10:22     -111.113859         0.523635
BFGS:    4 17:10:23     -111.152822         0.371302
BFGS:    5 17:10:23     -111.175477         0.330862
BFGS:    6 17:10:23     -111.188378         0.242755
BFGS:    7 17:10:24     -111.193184         0.128159
BFGS:    8 17:10:24     -111.194614         0.119585
BFGS:    9 17:10:24     -111.195736         0.107096
BFGS:   10 17:10:25     -111.197455         0.104746
BFGS:   11 17:10:25     -111.199058         0.088891
BFGS:   12 17:10:25     -111.199829         0.036081
BFGS:   13 17:10:26     -111.199997         0.029220
BFGS:   14 17:10:26     -111.200042         0.027420
BFGS:   15 17:10:27     -111.200087         0.024448
BFGS:   16 17:10:27     -111.200153         0.019043
BFGS:   17 17:10:27     -111.200246         0.021971
BFGS:   18 17:10:28     -111.200348         0.018529
BFGS:   19 17:10:28     -111.200412         0.011869
BFGS:   20 17:10:28     -111.200431         0.005911
BFGS:   21 17:10:29     -111.200434         0.004821
BFGS:   22 17:10:29     -111.200436         0.004694
BFGS:   23 17:10:29     -111.200439         0.004161
BFGS:   24 17:10:30     -111.200443         0.003970
BFGS:   25 17:10:30     -111.200447         0.003057
BFGS:   26 17:10:30     -111.200448         0.001214
BFGS:   27 17:10:30     -111.200448         0.000171
BFGS:   28 17:10:31     -111.200448         0.000012
BFGS:   29 17:10:31     -111.200448         0.000002
BFGS:   30 17:10:32     -111.200448         0.000000
BFGS:   31 17:10:32     -111.200448         0.000000
BFGS:   32 17:10:32     -111.200448         0.000000
Minimization converged after 32 steps.
Maximum force component: 3.2262049396657417e-09 eV/Angstrom
Maximum stress component: 3.6155165431827857e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.80382448 0.25       0.06095175]
 [0.69617552 0.75       0.56095175]
 [0.19617552 0.75       0.93904825]
 [0.30382448 0.25       0.43904825]
 [0.19124958 0.25       0.71094603]
 [0.30875042 0.75       0.21094603]
 [0.80875042 0.75       0.28905397]
 [0.69124958 0.25       0.78905397]
 [0.52100861 0.25       0.9147976 ]
 [0.97899139 0.75       0.4147976 ]
 [0.47899139 0.75       0.0852024 ]
 [0.02100861 0.25       0.5852024 ]
 [0.46469326 0.25       0.56704825]
 [0.03530674 0.75       0.06704825]
 [0.53530674 0.75       0.43295175]
 [0.96469326 0.25       0.93295175]]
cellpar =  Cell([[9.068938265488075, 1.5257738164451455e-36, 0.0], [3.867209256758607e-37, 2.556293031663627, 0.0], [0.0, 0.0, 4.186152632951166]])
forces =  [[ 1.76147602e-10 -5.04139909e-31 -5.25185618e-11]
 [-1.76147602e-10  5.04139909e-31 -5.25185618e-11]
 [-1.76147602e-10  7.56209863e-31  5.25185618e-11]
 [ 1.76147602e-10  2.96353764e-47  5.25185618e-11]
 [-2.68442255e-09  5.04139909e-31 -2.07118829e-09]
 [ 2.68442255e-09  1.26034977e-31 -2.07118829e-09]
 [ 2.68442255e-09  1.26034977e-31  2.07118829e-09]
 [-2.68442255e-09  5.04139909e-31  2.07118829e-09]
 [ 6.73240295e-10  1.13267108e-46 -9.66067043e-10]
 [-6.73240295e-10  2.52069954e-31 -9.66067043e-10]
 [-6.73240295e-10 -1.13267108e-46  9.66067043e-10]
 [ 6.73240295e-10 -2.52069954e-31  9.66067043e-10]
 [ 2.19515443e-09  1.26034977e-31  3.22620494e-09]
 [-2.19515443e-09 -5.04139909e-31  3.22620494e-09]
 [-2.19515443e-09 -1.26034977e-31 -3.22620494e-09]
 [ 2.19515443e-09  5.04139909e-31 -3.22620494e-09]]
stress =  [-6.69443684e-11  2.09081975e-10 -3.61551654e-10  0.00000000e+00
  0.00000000e+00  1.26405858e-47]
energy per atom =  -6.9500280233440845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0