element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:23:46      -59.454243         0.987014
BFGS:    1 17:23:46      -59.494675         0.924421
BFGS:    2 17:23:46      -59.616098         0.691706
BFGS:    3 17:23:46      -59.701308         0.441408
BFGS:    4 17:23:46      -59.747586         0.172419
BFGS:    5 17:23:46      -59.755443         0.010372
BFGS:    6 17:23:47      -59.755470         0.000224
BFGS:    7 17:23:47      -59.755471         0.000000
BFGS:    8 17:23:47      -59.755471         0.000000
Minimization converged after 8 steps.
Maximum force component: 5.290752331599061e-31 eV/Angstrom
Maximum stress component: 9.205152709819131e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.024095221286273, 1.072621340307873e-32, 3.880376826462133e-33], [-1.9921886624250527e-32, 4.024095221286273, 1.918765784864373e-17], [-1.1598960647937836e-35, 1.918765784864375e-17, 4.024095221286273]])
forces =  [[ 1.32268808e-31  2.64537617e-31  1.98403212e-31]
 [ 5.29075233e-31  2.64537617e-31 -2.64537617e-31]
 [ 2.64537617e-31 -1.98403212e-31 -1.98403212e-31]
 [ 9.82224845e-64 -1.98403212e-31 -9.46024571e-49]
 [ 2.64537617e-31 -6.30683047e-49 -1.32268808e-31]
 [ 2.64537617e-31 -3.30672021e-32 -1.57670762e-49]
 [ 3.30672021e-32  1.32268808e-31 -3.30672021e-31]
 [-3.30672021e-32 -3.96806425e-31 -6.61344041e-32]]
stress =  [-9.20515271e-13 -9.20515271e-13 -9.20515271e-13 -1.60332797e-30
  1.26862338e-33 -1.04879529e-50]
energy per atom =  -7.46943381335263
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0