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 15:59:37      -96.980090        0.2697
BFGS:    1 15:59:37      -96.982912        0.2492
BFGS:    2 15:59:37      -97.005952        0.1154
BFGS:    3 15:59:37      -97.008389        0.1274
BFGS:    4 15:59:38      -97.009956        0.1457
BFGS:    5 15:59:38      -97.026295        0.2382
BFGS:    6 15:59:38      -97.041388        0.2603
BFGS:    7 15:59:38      -97.055111        0.2527
BFGS:    8 15:59:38      -97.065115        0.2901
BFGS:    9 15:59:38      -97.074542        0.0461
BFGS:   10 15:59:38      -97.074802        0.0127
BFGS:   11 15:59:39      -97.074827        0.0067
BFGS:   12 15:59:39      -97.074837        0.0022
BFGS:   13 15:59:39      -97.074837        0.0001
BFGS:   14 15:59:39      -97.074837        0.0000
BFGS:   15 15:59:39      -97.074837        0.0000
BFGS:   16 15:59:39      -97.074837        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.24004042224108e-09 eV/Angstrom
Maximum stress component: 3.394604983623599e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.24404566e-31 7.88552664e-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 3.71083607e-31 2.16389508e-01]
 [1.00000000e+00 1.29879262e-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, -2.9739950751294315e-18, 2.951893403760546e-17], [-1.227348899019731, 2.1258306517158956, 6.372963786793934e-17], [4.2872560195758725e-16, 1.316550045044062e-15, 35.57366734672836]])
forces =  [[-1.49443573e-26 -4.58929884e-26 -1.24004042e-09]
 [ 1.49442598e-26  4.58932446e-26  1.24004042e-09]
 [-1.49445187e-26 -4.58928952e-26 -1.24004042e-09]
 [ 1.49445187e-26  4.58930815e-26  1.24004042e-09]
 [-1.49442497e-26 -4.58928021e-26 -1.24004042e-09]
 [ 1.49445725e-26  4.58930815e-26  1.24004042e-09]
 [-7.77998604e-27 -2.38930191e-26 -6.45591887e-10]
 [ 7.77998604e-27  2.38929725e-26  6.45591887e-10]
 [-7.78001294e-27 -2.38929259e-26 -6.45591887e-10]
 [ 7.78001294e-27  2.38929259e-26  6.45591887e-10]
 [-7.78006672e-27 -2.38928328e-26 -6.45591887e-10]
 [ 7.78009698e-27  2.38929259e-26  6.45591887e-10]]
stress =  [ 1.10845521e-13  1.10845521e-13 -3.39460498e-11  3.40579701e-26
 -5.64195043e-26 -1.42741320e-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