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 16:33:17      -63.375360         0.617142
BFGS:    1 16:33:17      -63.391487         0.602365
BFGS:    2 16:33:17      -63.475158         0.508080
BFGS:    3 16:33:17      -63.542344         0.384745
BFGS:    4 16:33:17      -63.590488         0.258413
BFGS:    5 16:33:18      -63.619537         0.121775
BFGS:    6 16:33:18      -63.624572         0.054610
BFGS:    7 16:33:18      -63.625593         0.004822
BFGS:    8 16:33:18      -63.625602         0.000104
BFGS:    9 16:33:18      -63.625602         0.000000
BFGS:   10 16:33:18      -63.625602         0.000000
Minimization converged after 10 steps.
Maximum force component: 7.888998284312201e-31 eV/Angstrom
Maximum stress component: 1.5809207429775691e-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, 6.858948201579569e-33, 1.1743344337267026e-33], [-3.4229616658741724e-33, 4.000197364123133, 5.2416690554407016e-18], [-2.5253432351398838e-33, 5.241669055440703e-18, 4.000197364123133]])
forces =  [[ 1.97224957e-31  1.31483305e-31  1.31483305e-31]
 [-2.08524304e-31  7.88899828e-31  1.03373695e-48]
 [ 2.67075463e-32 -1.43809865e-32 -9.03947720e-32]
 [-1.30508538e-64 -6.57416524e-32  2.95837436e-31]
 [-4.93062393e-32 -3.28708262e-31 -1.72058231e-32]
 [-1.97224957e-31  2.54748903e-31  2.95837436e-31]
 [-5.95783725e-32  1.64354131e-32 -6.24545698e-31]
 [-1.31483305e-31 -9.45036253e-32 -3.28708262e-32]]
stress =  [ 1.58092074e-12  1.58092074e-12  1.58092074e-12  3.78805186e-29
 -2.93159281e-61 -1.37753132e-61]
energy per atom =  -0.5588496769912785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0