element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
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.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:11:48      -29.606437        0.2642
BFGS:    1 13:11:48      -29.608231        0.2111
BFGS:    2 13:11:48      -29.611382        0.0017
BFGS:    3 13:11:48      -29.611382        0.0000
BFGS:    4 13:11:48      -29.611382        0.0000
Minimization converged after 4 steps.
Maximum force component: 1.0091607576826934e-31 eV/Angstrom
Maximum stress component: 1.2283843626488762e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[8.02446321e-36 2.44894656e-40 2.50000000e-01]
 [0.00000000e+00 2.03691819e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.456185421190223, 1.6404865012248286e-18, 1.7513097469988324e-54], [-1.2280927105951116, 2.1271189711557135, -1.7513096847676697e-54], [2.377229236103123e-47, -1.3724939393895876e-47, 8.333199999999998]])
forces =  [[-1.00916076e-031  3.49583541e-032 -8.63462360e-086]
 [ 1.13530585e-032 -1.96640742e-032  1.19944867e-077]
 [ 0.00000000e+000  0.00000000e+000  0.00000000e+000]
 [ 6.84338413e-125 -3.95102967e-125  2.39889733e-077]]
stress =  [ 1.22838436e-010  1.22838436e-010  2.66576527e-105  2.02317248e-058
 -3.50423753e-058  6.03384210e-027]
energy per atom =  -7.402845523106752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0