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_2019v1_C__MO_584345505904_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 15:38:32      -60.568089         0.853343
BFGS:    1 15:38:32      -60.599517         0.865625
BFGS:    2 15:38:32      -60.733028         0.905732
BFGS:    3 15:38:32      -60.863432         0.791465
BFGS:    4 15:38:33      -60.958141         0.444910
BFGS:    5 15:38:33      -60.996762         0.088809
BFGS:    6 15:38:33      -60.998730         0.017118
BFGS:    7 15:38:33      -60.998808         0.000501
BFGS:    8 15:38:33      -60.998808         0.000002
BFGS:    9 15:38:34      -60.998808         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.755500572002651e-31 eV/Angstrom
Maximum stress component: 2.1317472241513764e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.08148433e-33 3.59501352e-33 2.60785193e-33]
 [6.41910037e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.83695153e-33]
 [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([[3.674400398924098, 9.268022522235478e-34, 6.61529102714503e-35], [5.112380567114213e-34, 3.674400398924098, 3.5205276966316324e-19], [-2.7841567067926435e-34, 3.5205276966316305e-19, 3.674400398924098]])
forces =  [[ 4.75550057e-31  2.97218786e-31 -1.20774618e-31]
 [-3.39678612e-32 -9.05809633e-32 -1.05677790e-31]
 [ 6.03873089e-32  3.07597854e-31 -1.50968272e-32]
 [-3.12641052e-65 -2.57589614e-31 -6.03873089e-32]
 [ 6.03873089e-32 -2.26452408e-31  2.56646063e-31]
 [-1.20774618e-31  7.54841361e-32 -2.26452408e-31]
 [ 9.05809633e-32 -3.01936544e-32  3.01936544e-32]
 [ 3.01936544e-32 -4.15162748e-31 -6.03873089e-32]]
stress =  [-2.13174722e-11 -2.13174722e-11 -2.13174722e-11 -4.34568638e-28
  1.47362729e-61 -2.61120610e-61]
energy per atom =  -0.23050050152121582
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0