element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:41:15     -116.093247        0.0118
BFGS:    1 16:41:16     -116.093253        0.0117
BFGS:    2 16:41:16     -116.094886        0.0100
BFGS:    3 16:41:16     -116.096260        0.0082
BFGS:    4 16:41:17     -116.097339        0.0061
BFGS:    5 16:41:17     -116.098048        0.0033
BFGS:    6 16:41:17     -116.098279        0.0003
BFGS:    7 16:41:18     -116.098281        0.0000
BFGS:    8 16:41:18     -116.098281        0.0000
BFGS:    9 16:41:18     -116.098281        0.0000
Minimization converged after 9 steps.
Maximum force component: 9.097530033508472e-31 eV/Angstrom
Maximum stress component: 4.66264048149811e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[4.749035852554854, 5.638091111115415e-34, -1.1031173421920682e-34], [1.72947064297673e-33, 4.749035852554854, -3.480729092879464e-18], [2.603605323899562e-35, -3.480729092879464e-18, 4.749035852554854]])
forces =  [[ 4.24388800e-31 -7.80485150e-32  1.17072773e-31]
 [ 2.92681931e-32 -2.63413738e-31 -8.78045794e-32]
 [ 2.73169803e-31 -1.95121288e-31 -3.51218318e-31]
 [ 2.73169803e-31 -1.56097030e-31  1.36584901e-31]
 [ 4.48778961e-31 -3.90242575e-32 -5.65851734e-31]
 [ 2.53657674e-31  1.95121288e-32  3.31706189e-31]
 [-2.73169803e-31 -5.85363863e-32 -2.04877352e-31]
 [ 2.34145545e-31 -3.90242575e-32 -1.17072773e-31]
 [ 4.87803219e-31 -9.75606438e-32 -4.87803219e-31]
 [-1.17072773e-31  2.04877352e-31  1.36584901e-31]
 [ 1.82926207e-31 -2.09755384e-31 -7.31704828e-32]
 [-2.34145545e-31  7.80485150e-32 -1.36584901e-31]
 [ 3.51218318e-31 -3.90242575e-32 -5.85363863e-32]
 [-2.53657674e-31 -2.92681931e-31  1.36584901e-31]
 [ 3.12194060e-31  9.09753003e-31 -5.85363863e-31]
 [ 4.48778961e-31 -7.80485150e-32  3.90242575e-32]]
stress =  [-4.66264048e-11 -4.66264048e-11 -4.66264048e-11 -1.23084033e-27
  9.10874015e-35  1.07666237e-51]
energy per atom =  0.05758268652645793
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0