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 16:37:42     -156.070549         2.141529
BFGS:    1 16:37:43     -156.768230         0.936350
BFGS:    2 16:37:43     -157.060005         0.811794
BFGS:    3 16:37:43     -157.149500         0.747100
BFGS:    4 16:37:44     -157.227277         0.665770
BFGS:    5 16:37:44     -157.305157         0.562071
BFGS:    6 16:37:44     -157.364317         0.460164
BFGS:    7 16:37:45     -157.415696         0.421900
BFGS:    8 16:37:45     -157.465018         0.343830
BFGS:    9 16:37:45     -157.509814         0.270252
BFGS:   10 16:37:46     -157.538138         0.113892
BFGS:   11 16:37:46     -157.540323         0.037355
BFGS:   12 16:37:46     -157.540651         0.001953
BFGS:   13 16:37:47     -157.540654         0.000253
BFGS:   14 16:37:47     -157.540654         0.000012
BFGS:   15 16:37:47     -157.540654         0.000002
BFGS:   16 16:37:48     -157.540654         0.000001
BFGS:   17 16:37:48     -157.540654         0.000000
BFGS:   18 16:37:49     -157.540654         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.345523535049155e-09 eV/Angstrom
Maximum stress component: 3.1197722710949306e-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([[5.114227644291245, -3.050449152355516e-32, -5.8886863082421874e-33], [1.1573295655406844e-32, 5.114227644291245, -2.03007552911297e-18], [5.890604282967795e-33, -2.030075529112968e-18, 5.114227644291245]])
forces =  [[-9.69870637e-10 -9.69870637e-10 -9.69870637e-10]
 [ 9.69870637e-10  9.69870637e-10 -9.69870637e-10]
 [ 9.69870637e-10 -9.69870637e-10  9.69870637e-10]
 [-9.69870637e-10  9.69870637e-10  9.69870637e-10]
 [-9.69870637e-10 -9.69870637e-10  9.69870637e-10]
 [ 9.69870637e-10  9.69870637e-10  9.69870637e-10]
 [-9.69870637e-10  9.69870637e-10 -9.69870637e-10]
 [ 9.69870637e-10 -9.69870637e-10 -9.69870637e-10]
 [-6.30377226e-32  4.34552354e-09  4.34552354e-09]
 [ 8.40502968e-32 -4.34552354e-09  4.34552354e-09]
 [ 4.82854320e-42  4.34552354e-09 -4.34552354e-09]
 [ 6.17244367e-32 -4.34552354e-09 -4.34552354e-09]
 [ 4.34552354e-09 -1.72506708e-27  4.34552354e-09]
 [ 4.34552354e-09  1.72500405e-27 -4.34552354e-09]
 [-4.34552354e-09 -1.72500405e-27  4.34552354e-09]
 [-4.34552354e-09  1.72506708e-27 -4.34552354e-09]
 [ 4.34552354e-09  4.34552354e-09 -1.72502506e-27]
 [-4.34552354e-09  4.34552354e-09 -1.72485696e-27]
 [ 4.34552354e-09 -4.34552354e-09  1.72494101e-27]
 [-4.34552354e-09 -4.34552354e-09  1.72502506e-27]]
stress =  [ 3.11977227e-11  3.11977227e-11  3.11977227e-11 -1.12871145e-31
  6.28346334e-34 -2.51852647e-52]
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