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 17:27:24      -62.340667         1.220846
BFGS:    1 17:27:24      -62.460354         0.499824
BFGS:    2 17:27:24      -62.486596         0.103541
BFGS:    3 17:27:25      -62.487073         0.097625
BFGS:    4 17:27:25      -62.487650         0.080480
BFGS:    5 17:27:25      -62.488446         0.047085
BFGS:    6 17:27:25      -62.488921         0.048506
BFGS:    7 17:27:25      -62.489067         0.048606
BFGS:    8 17:27:26      -62.489119         0.043277
BFGS:    9 17:27:26      -62.489190         0.032564
BFGS:   10 17:27:26      -62.489286         0.020552
BFGS:   11 17:27:26      -62.489359         0.013801
BFGS:   12 17:27:26      -62.489380         0.003922
BFGS:   13 17:27:26      -62.489382         0.000637
BFGS:   14 17:27:27      -62.489382         0.000051
BFGS:   15 17:27:27      -62.489382         0.000002
BFGS:   16 17:27:27      -62.489382         0.000000
BFGS:   17 17:27:27      -62.489382         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.800876250776038e-10 eV/Angstrom
Maximum stress component: 8.950811676111523e-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 3.83129148e-35]
 [1.85265650e-01 1.85265650e-01 1.43673431e-35]
 [1.85265650e-01 8.14734350e-01 1.91564574e-35]
 [8.14734350e-01 1.85265650e-01 9.57822871e-36]
 [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([[4.364241816574637, -2.4111019331519097e-36, -1.8100694775078435e-32], [-1.2450963969496474e-35, 4.364241816574638, 4.0417178284491896e-19], [1.2708404321524106e-32, 2.3249746334868705e-19, 2.513421326379959]])
forces =  [[ 3.80087625e-10  3.80087625e-10  3.52308385e-29]
 [-3.80087625e-10 -3.80087625e-10 -3.51378976e-29]
 [-3.80087625e-10  3.80087625e-10  3.51998582e-29]
 [ 3.80087625e-10 -3.80087625e-10 -3.52308385e-29]
 [ 3.80087625e-10  3.80087625e-10  3.52618188e-29]
 [-3.80087625e-10 -3.80087625e-10 -3.51843680e-29]
 [-3.80087625e-10  3.80087625e-10  3.51998582e-29]
 [ 3.80087625e-10 -3.80087625e-10 -3.52618188e-29]]
stress =  [ 8.95081168e-11  8.95081168e-11 -5.64125495e-11 -1.05516675e-26
  6.74213754e-33  6.34882456e-49]
energy per atom =  -0.44861430890214304
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0