element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:27      -58.276686        1.8983
BFGS:    1 15:41:27      -58.399765        1.7551
BFGS:    2 15:41:27      -58.584823        1.4823
BFGS:    3 15:41:27      -58.735883        1.2005
BFGS:    4 15:41:27      -58.855149        0.9110
BFGS:    5 15:41:27      -58.941137        0.6133
BFGS:    6 15:41:27      -58.992030        0.3072
BFGS:    7 15:41:27      -59.006639        0.0273
BFGS:    8 15:41:27      -59.006688        0.0284
BFGS:    9 15:41:27      -59.006738        0.0283
BFGS:   10 15:41:27      -59.006780        0.0221
BFGS:   11 15:41:27      -59.006824        0.0134
BFGS:   12 15:41:27      -59.006839        0.0062
BFGS:   13 15:41:27      -59.006841        0.0009
BFGS:   14 15:41:27      -59.006841        0.0001
BFGS:   15 15:41:27      -59.006841        0.0001
BFGS:   16 15:41:27      -59.006841        0.0000
BFGS:   17 15:41:27      -59.006841        0.0000
BFGS:   18 15:41:27      -59.006841        0.0000
Minimization converged after 18 steps.
Maximum force component: 6.92645962807603e-09 eV/Angstrom
Maximum stress component: 1.010660799191989e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 2.14185096e-35 9.37500000e-02]
 [0.00000000e+00 0.00000000e+00 5.93750000e-01]
 [3.14216107e-37 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 6.39161182e-37 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.439354710662867, -1.3523943461694656e-17, -8.648651203258592e-37], [-1.2196773553314335, 2.1125431482752814, -1.7282303696376927e-36], [-3.649271759674542e-36, -1.2391127119165851e-35, 7.966899123648791]])
forces =  [[ 1.00224561e-30 -8.33251350e-31  6.92645963e-09]
 [-8.01796486e-31  2.77750450e-31  6.92645963e-09]
 [-8.01796486e-31  2.77750450e-31 -6.92645963e-09]
 [ 8.81976134e-31 -4.16625675e-31 -6.92645963e-09]
 [ 7.21616837e-31 -1.38875225e-31  2.46404518e-09]
 [-4.00898243e-32  6.94376125e-32  2.46404518e-09]
 [-4.00898243e-31 -1.38875225e-31 -2.46404518e-09]
 [ 8.01796486e-32 -1.38875225e-31 -2.46404518e-09]]
stress =  [-8.78019695e-10 -8.78019695e-10 -1.01066080e-09 -1.95296422e-33
 -5.60174755e-44  4.63266954e-25]
energy per atom =  -7.375855183759989
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0