element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:06:41      -96.980090         0.269659
BFGS:    1 15:06:41      -96.982912         0.249230
BFGS:    2 15:06:42      -97.005952         0.115433
BFGS:    3 15:06:42      -97.008389         0.127400
BFGS:    4 15:06:42      -97.009956         0.145686
BFGS:    5 15:06:42      -97.026295         0.238234
BFGS:    6 15:06:42      -97.041388         0.260274
BFGS:    7 15:06:42      -97.055111         0.252711
BFGS:    8 15:06:42      -97.065115         0.290065
BFGS:    9 15:06:43      -97.074542         0.046108
BFGS:   10 15:06:43      -97.074802         0.012664
BFGS:   11 15:06:43      -97.074827         0.006660
BFGS:   12 15:06:43      -97.074837         0.002250
BFGS:   13 15:06:43      -97.074837         0.000143
BFGS:   14 15:06:43      -97.074837         0.000014
BFGS:   15 15:06:43      -97.074837         0.000001
BFGS:   16 15:06:44      -97.074837         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.2400366933894699e-09 eV/Angstrom
Maximum stress component: 3.394590223639061e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.85248214e-31 5.10239959e-31 4.50304885e-01]
 [0.00000000e+00 1.03900403e-16 5.49695115e-01]
 [6.66666667e-01 3.33333333e-01 7.83638218e-01]
 [6.66666667e-01 3.33333333e-01 8.83028448e-01]
 [3.33333333e-01 6.66666667e-01 1.16971552e-01]
 [3.33333333e-01 6.66666667e-01 2.16361782e-01]
 [1.14897458e-17 3.47890881e-31 2.16389508e-01]
 [1.00000000e+00 1.02047992e-30 7.83610492e-01]
 [6.66666667e-01 3.33333333e-01 5.49722841e-01]
 [6.66666667e-01 3.33333333e-01 1.16943826e-01]
 [3.33333333e-01 6.66666667e-01 8.83056174e-01]
 [3.33333333e-01 6.66666667e-01 4.50277159e-01]]
cellpar =  Cell([[2.454697798039462, 6.284117496313675e-18, 2.9518932809018323e-17], [-1.227348899019731, 2.125830651715896, 6.37296352153539e-17], [4.287255841138136e-16, 1.3165499902464528e-15, 35.57366734672862]])
forces =  [[-1.49447421e-26 -4.58925690e-26 -1.24003669e-09]
 [ 1.49447454e-26  4.58925690e-26  1.24003669e-09]
 [-1.49446883e-26 -4.58925690e-26 -1.24003669e-09]
 [ 1.49447421e-26  4.58925690e-26  1.24003669e-09]
 [-1.49446883e-26 -4.58925690e-26 -1.24003669e-09]
 [ 1.49447421e-26  4.58924758e-26  1.24003669e-09]
 [-7.78078313e-27 -2.38924767e-26 -6.45591104e-10]
 [ 7.78048729e-27  2.38926165e-26  6.45591104e-10]
 [-7.78067555e-27 -2.38926631e-26 -6.45591104e-10]
 [ 7.78048729e-27  2.38926165e-26  6.45591104e-10]
 [-7.78067555e-27 -2.38926631e-26 -6.45591104e-10]
 [ 7.78067555e-27  2.38926631e-26  6.45591104e-10]]
stress =  [ 1.12607477e-13  1.12607477e-13 -3.39459022e-11  3.40577531e-26
 -5.64192819e-26 -2.42776360e-29]
energy per atom =  -0.6952192486774335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0