element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:25:47      -62.734015        0.3480
BFGS:    1 17:25:47      -62.739020        0.3231
BFGS:    2 17:25:47      -62.767198        0.0440
BFGS:    3 17:25:47      -62.767667        0.0044
BFGS:    4 17:25:48      -62.767672        0.0000
BFGS:    5 17:25:48      -62.767672        0.0000
BFGS:    6 17:25:48      -62.767672        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.9970516279667264e-31 eV/Angstrom
Maximum stress component: 7.341224945551438e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[7.05896175e-34 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.6004461438276034, -1.6555481627981267e-32, -4.894110049815153e-35], [-2.855424443922776e-34, 3.6004461438276034, -4.542076385396684e-19], [9.33836930719753e-35, -4.542076385396692e-19, 3.6004461438276034]])
forces =  [[-6.65683876e-32 -4.80771688e-32  4.80771688e-32]
 [-4.86246573e-66  4.43789251e-32 -5.17754126e-32]
 [-2.21894625e-32 -5.91719001e-32 -1.10947313e-32]
 [-1.99705163e-31 -4.62280469e-32  5.83181395e-51]
 [-1.03550825e-31  4.80771688e-32  7.39648751e-32]
 [ 5.17754126e-32 -2.95859500e-32  1.47929750e-32]
 [-3.69824376e-32  2.21894625e-32  2.21894625e-32]
 [ 9.61543376e-32 -4.06806813e-32  2.95859500e-32]]
stress =  [ 7.34122495e-14  7.34122495e-14  7.34122495e-14  6.04335510e-32
 -6.33893885e-34 -4.16139483e-53]
energy per atom =  -0.48340048433956007
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0