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_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 18:20:52      -58.685174        0.9852
BFGS:    1 18:20:52      -58.725396        0.9202
BFGS:    2 18:20:52      -58.846216        0.6912
BFGS:    3 18:20:52      -58.932896        0.4649
BFGS:    4 18:20:52      -58.985826        0.2412
BFGS:    5 18:20:52      -59.005369        0.0198
BFGS:    6 18:20:52      -59.005502        0.0001
BFGS:    7 18:20:52      -59.005502        0.0000
BFGS:    8 18:20:52      -59.005502        0.0000
Minimization converged after 8 steps.
Maximum force component: 7.137381876821659e-31 eV/Angstrom
Maximum stress component: 1.1506098264956664e-14 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([[4.236974713854937, 2.7540095568141883e-33, 6.482750875260518e-34], [2.4226416186308963e-34, 4.236974713854937, 7.365884060714727e-19], [3.370474349676851e-35, 7.365884060714697e-19, 4.236974713854937]])
forces =  [[ 6.26696945e-31 -6.61513442e-31  2.78531976e-31]
 [-4.35206212e-32  1.39265988e-31  3.48164970e-31]
 [ 5.91880448e-31  2.78531976e-31 -4.52614460e-31]
 [ 1.39265988e-31 -4.87430957e-31  1.39265988e-31]
 [ 6.96329939e-31 -6.96329939e-32  2.78531976e-31]
 [ 5.91880448e-31 -7.13738188e-31  2.78531976e-31]
 [ 1.39265988e-31  2.78531976e-31 -5.57063951e-31]
 [ 3.48164970e-31 -4.17797964e-31  5.22247454e-32]]
stress =  [-1.15060983e-14 -1.15060983e-14 -1.15060983e-14 -1.60749012e-31
  2.86086572e-34  1.71631443e-50]
energy per atom =  -7.375687694255816
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0