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:
DUNN_WenTadmor_2019v1_C__MO_584345505904_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 16:24:12      -63.375360         0.617142
BFGS:    1 16:24:12      -63.391487         0.602365
BFGS:    2 16:24:12      -63.475158         0.508080
BFGS:    3 16:24:12      -63.542344         0.384745
BFGS:    4 16:24:13      -63.590488         0.258413
BFGS:    5 16:24:13      -63.619537         0.121775
BFGS:    6 16:24:13      -63.624572         0.054610
BFGS:    7 16:24:13      -63.625593         0.004822
BFGS:    8 16:24:13      -63.625602         0.000104
BFGS:    9 16:24:13      -63.625602         0.000000
BFGS:   10 16:24:13      -63.625602         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.0518664379082934e-30 eV/Angstrom
Maximum stress component: 1.5810612347820657e-12 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([[4.000197364123133, 1.2433224289739978e-33, 4.030392922068185e-34], [-3.2476965699920436e-33, 4.000197364123133, -1.0571651565377523e-17], [-6.795469448983803e-34, -1.0571651565377521e-17, 4.000197364123133]])
forces =  [[ 3.94449914e-31  4.93062393e-32  6.57416524e-32]
 [ 2.46531196e-31  2.62966609e-31 -6.57416524e-32]
 [-5.17715512e-31 -5.95783725e-32 -1.80789544e-31]
 [-4.60191567e-31 -1.97224957e-31 -2.61939396e-31]
 [-2.75293169e-31  1.05186644e-30 -2.54748903e-31]
 [ 2.95837436e-31 -2.87619729e-32 -3.28708262e-32]
 [-6.57416524e-32 -2.25986930e-31  4.93062393e-31]
 [-1.97224957e-31  1.02721332e-30 -2.71470137e-48]]
stress =  [ 1.58106123e-12  1.58106123e-12  1.58106123e-12 -3.34541020e-29
  1.02706128e-33 -2.53193636e-51]
energy per atom =  -0.5588496769912776
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0