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_2019v3_C__MO_714772088128_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 16:25:31      -63.980582         0.366660
BFGS:    1 16:25:32      -63.985977         0.320174
BFGS:    2 16:25:32      -64.004179         0.021677
BFGS:    3 16:25:32      -64.004269         0.001130
BFGS:    4 16:25:33      -64.004269         0.000003
BFGS:    5 16:25:33      -64.004269         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.3721906601738166e-31 eV/Angstrom
Maximum stress component: 9.557543267299402e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 2.41918061e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.28817191e-34]
 [5.00000000e-01 1.54043064e-33 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([[3.553014840192163, -7.804134901314617e-36, -2.4111133789108793e-38], [-1.3534974457928717e-35, 3.553014840192163, 2.7593592089763526e-25], [2.1820853824788734e-37, 2.7593592089551514e-25, 3.553014840192163]])
forces =  [[-7.29904819e-32  1.48718107e-31  1.15498160e-56]
 [ 1.02186675e-31 -5.83923855e-32  1.36857153e-32]
 [ 1.45980964e-32  8.75885782e-32  1.45980964e-32]
 [-1.45980964e-32 -1.63772394e-31 -4.37942891e-32]
 [-9.12381023e-33 -2.37219066e-31 -1.84230194e-56]
 [ 5.83923855e-32  1.09485723e-31 -2.18971446e-32]
 [ 1.45980964e-32  1.29558105e-31  1.01730484e-31]
 [-1.45980964e-32 -5.56552424e-32  5.10933373e-32]]
stress =  [ 9.55754327e-11  9.55754327e-11  9.55754327e-11  4.99985195e-28
  1.67484102e-63 -9.68065890e-62]
energy per atom =  -0.6868083498888735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0