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 18:20:52      -52.073179        0.1458
BFGS:    1 18:20:52      -52.074060        0.1362
BFGS:    2 18:20:52      -52.080042        0.0011
BFGS:    3 18:20:52      -52.080042        0.0000
BFGS:    4 18:20:52      -52.080042        0.0000
Minimization converged after 4 steps.
Maximum force component: 3.038222208832688e-31 eV/Angstrom
Maximum stress component: 5.536261688023428e-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([[4.10816448709706, -1.117763127610589e-41, 1.547226808037381e-33], [-1.3082604800729168e-33, 4.10816448709706, -2.71799293122379e-20], [1.0683680581300455e-34, -2.717992931223734e-20, 4.10816448709706]])
forces =  [[-8.43950614e-32 -4.21975307e-33 -4.21975307e-33]
 [-3.37580245e-32  9.49444440e-32  6.75160491e-32]
 [ 4.00876541e-32  6.75160491e-32 -2.02548147e-31]
 [ 8.43950614e-33 -2.02548147e-31 -3.37580245e-32]
 [ 9.90578468e-65 -3.03822221e-31  8.86148144e-32]
 [-1.01274074e-31  8.37546236e-53 -1.26592592e-32]
 [-1.35032098e-31  1.01274074e-31 -1.51911110e-31]
 [ 7.59555552e-32 -2.90503625e-31 -3.37580245e-32]]
stress =  [ 5.53626169e-11  5.53626169e-11  5.53626169e-11 -1.94087510e-26
  6.08616280e-35 -9.66274268e-51]
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