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_LCBOP_LosFasolino_2003_C__SM_469631949122_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 09:44:45     -112.876683         3.262760
BFGS:    1 09:44:45     -113.265918         0.876863
BFGS:    2 09:44:45     -113.305043         0.295380
BFGS:    3 09:44:45     -113.311897         0.207781
BFGS:    4 09:44:45     -113.327716         0.154206
BFGS:    5 09:44:45     -113.331353         0.153379
BFGS:    6 09:44:45     -113.333426         0.147182
BFGS:    7 09:44:45     -113.334877         0.140012
BFGS:    8 09:44:45     -113.338073         0.107672
BFGS:    9 09:44:46     -113.341775         0.128284
BFGS:   10 09:44:46     -113.344221         0.083665
BFGS:   11 09:44:46     -113.344973         0.032151
BFGS:   12 09:44:46     -113.345066         0.010181
BFGS:   13 09:44:46     -113.345077         0.004816
BFGS:   14 09:44:46     -113.345080         0.004834
BFGS:   15 09:44:46     -113.345082         0.004957
BFGS:   16 09:44:46     -113.345083         0.004670
BFGS:   17 09:44:46     -113.345085         0.003612
BFGS:   18 09:44:46     -113.345088         0.002942
BFGS:   19 09:44:46     -113.345089         0.001397
BFGS:   20 09:44:46     -113.345089         0.000286
BFGS:   21 09:44:46     -113.345089         0.000160
BFGS:   22 09:44:46     -113.345089         0.000151
BFGS:   23 09:44:46     -113.345089         0.000158
BFGS:   24 09:44:46     -113.345089         0.000131
BFGS:   25 09:44:46     -113.345089         0.000090
BFGS:   26 09:44:46     -113.345089         0.000034
BFGS:   27 09:44:46     -113.345089         0.000005
BFGS:   28 09:44:46     -113.345089         0.000000
BFGS:   29 09:44:46     -113.345089         0.000000
BFGS:   30 09:44:46     -113.345089         0.000000
Minimization converged after 30 steps.
Maximum force component: 8.739663929178208e-09 eV/Angstrom
Maximum stress component: 1.1034722241240383e-09 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 =  [[0.80356946 0.25       0.07979952]
 [0.69643054 0.75       0.57979952]
 [0.19643054 0.75       0.92020048]
 [0.30356946 0.25       0.42020048]
 [0.19220142 0.25       0.68852566]
 [0.30779858 0.75       0.18852566]
 [0.80779858 0.75       0.31147434]
 [0.69220142 0.25       0.81147434]
 [0.52158279 0.25       0.91185039]
 [0.97841721 0.75       0.41185039]
 [0.47841721 0.75       0.08814961]
 [0.02158279 0.25       0.58814961]
 [0.4616366  0.25       0.56722346]
 [0.0383634  0.75       0.06722346]
 [0.5383634  0.75       0.43277654]
 [0.9616366  0.25       0.93277654]]
cellpar =  Cell([[9.099866634739898, -6.165588814997946e-36, 0.0], [1.3847358171746784e-36, 2.541949126063947, 0.0], [0.0, 0.0, 4.125418459211228]])
forces =  [[-6.04570767e-09 -2.50655536e-31 -7.49068238e-09]
 [ 6.04570767e-09  1.25327768e-31 -7.49068238e-09]
 [ 6.04570767e-09  2.50655536e-31  7.49068238e-09]
 [-6.04570767e-09  1.25327768e-31  7.49068238e-09]
 [ 2.61796021e-09  2.50655536e-31 -6.22776074e-09]
 [-2.61796021e-09 -2.50655536e-31 -6.22776074e-09]
 [-2.61796021e-09 -2.50655536e-31  6.22776074e-09]
 [ 2.61796021e-09  2.50655536e-31  6.22776074e-09]
 [ 2.12170129e-09  5.01311072e-31 -8.73966393e-09]
 [-2.12170129e-09 -1.25327768e-31 -8.73966393e-09]
 [-2.12170129e-09 -5.01311072e-31  8.73966393e-09]
 [ 2.12170129e-09  1.25327768e-31  8.73966393e-09]
 [ 7.12519229e-09  5.01311072e-31  1.67889578e-09]
 [-7.12519229e-09  4.85645101e-31  1.67889578e-09]
 [-7.12519229e-09 -5.01311072e-31 -1.67889578e-09]
 [ 7.12519229e-09 -5.01311072e-31 -1.67889578e-09]]
stress =  [-2.05733977e-10  1.10347222e-09  5.66601229e-10  0.00000000e+00
  0.00000000e+00 -4.26293357e-33]
energy per atom =  -7.084068065894197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0