element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:07      -62.340667        1.2208
BFGS:    1 17:16:07      -62.460354        0.4998
BFGS:    2 17:16:07      -62.486596        0.1035
BFGS:    3 17:16:07      -62.487073        0.0976
BFGS:    4 17:16:08      -62.487650        0.0805
BFGS:    5 17:16:08      -62.488446        0.0471
BFGS:    6 17:16:08      -62.488921        0.0485
BFGS:    7 17:16:08      -62.489067        0.0486
BFGS:    8 17:16:08      -62.489119        0.0433
BFGS:    9 17:16:08      -62.489190        0.0326
BFGS:   10 17:16:09      -62.489286        0.0206
BFGS:   11 17:16:09      -62.489359        0.0138
BFGS:   12 17:16:09      -62.489380        0.0039
BFGS:   13 17:16:09      -62.489382        0.0006
BFGS:   14 17:16:09      -62.489382        0.0001
BFGS:   15 17:16:09      -62.489382        0.0000
BFGS:   16 17:16:10      -62.489382        0.0000
BFGS:   17 17:16:10      -62.489382        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.8008187944432896e-10 eV/Angstrom
Maximum stress component: 8.951137999476236e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.14734350e-01 8.14734350e-01 0.00000000e+00]
 [1.85265650e-01 1.85265650e-01 3.83129148e-35]
 [1.85265650e-01 8.14734350e-01 0.00000000e+00]
 [8.14734350e-01 1.85265650e-01 1.91564574e-35]
 [3.14734350e-01 3.14734350e-01 5.00000000e-01]
 [6.85265650e-01 6.85265650e-01 5.00000000e-01]
 [6.85265650e-01 3.14734350e-01 5.00000000e-01]
 [3.14734350e-01 6.85265650e-01 5.00000000e-01]]
cellpar =  Cell([[4.364241816574639, -4.124901621513248e-36, 2.70712430125834e-32], [-2.1197423388090395e-36, 4.36424181657464, 2.2887068921570147e-18], [1.269588669967352e-32, 1.3094044452958432e-18, 2.513421326379959]])
forces =  [[ 3.80081879e-10  3.80081879e-10  1.99261554e-28]
 [-3.80081879e-10 -3.80081879e-10 -1.99308024e-28]
 [-3.80081879e-10  3.80081879e-10  1.99292534e-28]
 [ 3.80081879e-10 -3.80081879e-10 -1.99284789e-28]
 [ 3.80081879e-10  3.80081879e-10  1.99261554e-28]
 [-3.80081879e-10 -3.80081879e-10 -1.99288662e-28]
 [-3.80081879e-10  3.80081879e-10  1.99323515e-28]
 [ 3.80081879e-10 -3.80081879e-10 -1.99277044e-28]]
stress =  [ 8.95113800e-11  8.95113800e-11 -5.64108233e-11 -8.61381122e-27
 -5.46652189e-43 -7.31149383e-60]
energy per atom =  -0.4486143089021404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0