element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:58:38     -156.070549         2.141529
BFGS:    1 12:58:41     -156.768230         0.936350
BFGS:    2 12:58:44     -157.060005         0.811794
BFGS:    3 12:58:46     -157.149500         0.747100
BFGS:    4 12:58:49     -157.227277         0.665770
BFGS:    5 12:58:53     -157.305157         0.562071
BFGS:    6 12:58:56     -157.364317         0.460164
BFGS:    7 12:58:59     -157.415696         0.421900
BFGS:    8 12:59:02     -157.465018         0.343830
BFGS:    9 12:59:05     -157.509814         0.270252
BFGS:   10 12:59:08     -157.538138         0.113892
BFGS:   11 12:59:11     -157.540323         0.037355
BFGS:   12 12:59:13     -157.540651         0.001953
BFGS:   13 12:59:16     -157.540654         0.000253
BFGS:   14 12:59:19     -157.540654         0.000012
BFGS:   15 12:59:22     -157.540654         0.000002
BFGS:   16 12:59:25     -157.540654         0.000001
BFGS:   17 12:59:28     -157.540654         0.000000
BFGS:   18 12:59:31     -157.540654         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.345555755550017e-09 eV/Angstrom
Maximum stress component: 3.1201546610203945e-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', 'C', 'C', 'C', 'C']
basis =  [[0.2710941  0.2710941  0.2710941 ]
 [0.7289059  0.7289059  0.2710941 ]
 [0.7289059  0.2710941  0.7289059 ]
 [0.2710941  0.7289059  0.7289059 ]
 [0.2710941  0.2710941  0.7289059 ]
 [0.7289059  0.7289059  0.7289059 ]
 [0.2710941  0.7289059  0.2710941 ]
 [0.7289059  0.2710941  0.2710941 ]
 [0.5        0.15820771 0.15820771]
 [0.5        0.84179229 0.15820771]
 [0.5        0.15820771 0.84179229]
 [0.5        0.84179229 0.84179229]
 [0.15820771 0.5        0.15820771]
 [0.15820771 0.5        0.84179229]
 [0.84179229 0.5        0.15820771]
 [0.84179229 0.5        0.84179229]
 [0.15820771 0.15820771 0.5       ]
 [0.84179229 0.15820771 0.5       ]
 [0.15820771 0.84179229 0.5       ]
 [0.84179229 0.84179229 0.5       ]]
cellpar =  Cell([[5.114227644291247, -7.673816646449052e-33, -1.1765859905622601e-32], [-5.2887330300030213e-33, 5.114227644291247, -4.41837973042114e-19], [1.0821061910674961e-32, -4.418379730421196e-19, 5.114227644291247]])
forces =  [[-9.69875778e-10 -9.69875778e-10 -9.69875778e-10]
 [ 9.69875778e-10  9.69875778e-10 -9.69875778e-10]
 [ 9.69875778e-10 -9.69875778e-10  9.69875778e-10]
 [-9.69875778e-10  9.69875778e-10  9.69875778e-10]
 [-9.69875778e-10 -9.69875778e-10  9.69875778e-10]
 [ 9.69875778e-10  9.69875778e-10  9.69875778e-10]
 [-9.69875778e-10  9.69875778e-10 -9.69875778e-10]
 [ 9.69875778e-10 -9.69875778e-10 -9.69875778e-10]
 [ 4.20251484e-32  4.34555576e-09  4.34555576e-09]
 [ 4.20251484e-32 -4.34555576e-09  4.34555576e-09]
 [-1.26075445e-31  4.34555576e-09 -4.34555576e-09]
 [ 2.10125742e-32 -4.34555576e-09 -4.34555576e-09]
 [ 4.34555576e-09 -3.75345375e-28  4.34555576e-09]
 [ 4.34555576e-09  3.75534488e-28 -4.34555576e-09]
 [-4.34555576e-09 -3.75513476e-28  4.34555576e-09]
 [-4.34555576e-09  3.75513476e-28 -4.34555576e-09]
 [ 4.34555576e-09  4.34555576e-09 -3.75387400e-28]
 [-4.34555576e-09  4.34555576e-09 -3.75387400e-28]
 [ 4.34555576e-09 -4.34555576e-09  3.75261325e-28]
 [-4.34555576e-09 -4.34555576e-09  3.75513476e-28]]
stress =  [3.12015466e-11 3.12015466e-11 3.12015466e-11 6.25409719e-28
 2.51338533e-33 2.14490524e-50]
energy per atom =  -0.5633074325996617
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0