element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:12      -58.305545         1.649099
BFGS:    1 15:39:12      -58.417531         1.519543
BFGS:    2 15:39:12      -58.624425         1.237409
BFGS:    3 15:39:12      -58.788267         0.945488
BFGS:    4 15:39:12      -58.907590         0.643796
BFGS:    5 15:39:12      -58.980926         0.332393
BFGS:    6 15:39:12      -59.006813         0.011149
BFGS:    7 15:39:12      -59.006841         0.000165
BFGS:    8 15:39:12      -59.006841         0.000000
BFGS:    9 15:39:12      -59.006841         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.700867196254928e-30 eV/Angstrom
Maximum stress component: 3.269930128206701e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.99009260e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.58760313e-33]
 [5.00000000e-01 1.92605918e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.449768515585704, -1.74525553418577e-32, -4.305570694483767e-33], [-2.1451360402533384e-34, 3.449768515585704, -1.771182348501606e-19], [-9.929503193657778e-34, -1.7711823485016042e-19, 3.449768515585704]])
forces =  [[-2.26782293e-31 -2.83477866e-31 -1.84260613e-31]
 [-4.53564586e-31  4.53564586e-31 -2.26782293e-31]
 [ 1.13391146e-31  2.83477866e-32 -4.81912372e-31]
 [-1.70086720e-31  5.66955732e-32 -2.26782293e-31]
 [-1.70086720e-31 -1.70086720e-30  2.10393729e-31]
 [-2.83477866e-31  5.66955732e-31 -3.40173439e-31]
 [-2.83477866e-31  8.50433598e-31  1.66543246e-31]
 [ 5.66955732e-31  8.36259705e-31 -3.40173439e-31]]
stress =  [ 3.26993013e-14  3.26993013e-14  3.26993013e-14 -9.81598301e-31
  6.90477120e-34  8.30259976e-50]
energy per atom =  -7.37585518375999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0