element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:10      -52.073179         0.145802
BFGS:    1 17:26:10      -52.074060         0.136172
BFGS:    2 17:26:10      -52.080042         0.001107
BFGS:    3 17:26:10      -52.080042         0.000009
BFGS:    4 17:26:10      -52.080042         0.000000
Minimization converged after 4 steps.
Maximum force component: 6.920395031230008e-31 eV/Angstrom
Maximum stress component: 5.5360989448071646e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.108164487097058, -1.250027630565912e-33, -8.897711179945699e-35], [-8.001122139108414e-33, 4.108164487097058, 7.25577571661546e-21], [-3.044001359247565e-33, 7.255775716618959e-21, 4.108164487097058]])
forces =  [[-2.19427160e-31 -3.37580245e-32 -9.49444440e-33]
 [ 1.85669135e-31  5.40128393e-31 -1.51911110e-31]
 [ 2.70064196e-31  6.75160491e-32  6.75160491e-31]
 [ 2.53185184e-31  6.92039503e-31  2.80613579e-31]
 [-5.57007405e-31 -6.41402466e-31  9.28345675e-32]
 [-1.61933024e-31  8.94343406e-53  5.06370368e-32]
 [ 1.68790123e-31 -2.10987653e-31 -1.85669135e-31]
 [ 6.75160491e-32  1.35032098e-31 -4.21975307e-31]]
stress =  [ 5.53609894e-11  5.53609894e-11  5.53609894e-11 -1.17092508e-26
  2.43446512e-34 -3.40750725e-50]
energy per atom =  -6.51000529220806
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0