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_2019v2_C__MO_956135237832_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 16:33:17      -63.663117         1.275691
BFGS:    1 16:33:17      -63.730607         1.193175
BFGS:    2 16:33:17      -63.892786         0.970780
BFGS:    3 16:33:17      -64.022264         0.756138
BFGS:    4 16:33:18      -64.119453         0.538232
BFGS:    5 16:33:18      -64.183162         0.309184
BFGS:    6 16:33:18      -64.211637         0.068758
BFGS:    7 16:33:18      -64.213076         0.001831
BFGS:    8 16:33:18      -64.213077         0.000010
BFGS:    9 16:33:18      -64.213077         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.9017093134363645e-31 eV/Angstrom
Maximum stress component: 1.6500413483384954e-10 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([[3.9788387726769945, -3.0520094967541057e-33, -1.2587496283900465e-33], [3.4126078364976885e-33, 3.9788387726769945, 3.960586501124344e-19], [3.0406257421683142e-34, 3.960586501124321e-19, 3.9788387726769945]])
forces =  [[ 7.63524996e-65  8.17382905e-32  8.17382905e-32]
 [ 6.53906324e-32 -3.26953162e-32 -2.08432641e-31]
 [-1.30781265e-31 -2.08432641e-31 -1.38955094e-31]
 [-9.80859486e-32  3.26953162e-32 -2.90170931e-31]
 [ 8.17382905e-32  6.53906324e-32 -1.63476581e-31]
 [-2.45214872e-32  9.80859486e-32  9.80859486e-32]
 [-1.99220615e-65 -3.26953162e-32  1.06259778e-31]
 [-6.53906324e-32  9.80859486e-32 -5.72168034e-32]]
stress =  [ 1.65004135e-10  1.65004135e-10  1.65004135e-10  7.14258138e-26
  7.78588127e-34 -3.42629222e-50]
energy per atom =  -0.6640761239458381
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0