element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:27:39      -28.952873         2.719107
BFGS:    1 14:27:39      -29.143222         2.183226
BFGS:    2 14:27:39      -29.327755         1.510444
BFGS:    3 14:27:39      -29.445874         0.854570
BFGS:    4 14:27:39      -29.499157         0.213344
BFGS:    5 14:27:39      -29.502750         0.002878
BFGS:    6 14:27:40      -29.502751         0.000009
BFGS:    7 14:27:40      -29.502751         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.984892826397443e-31 eV/Angstrom
Maximum stress component: 3.427462880674011e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[6.03408189e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 2.33383652e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5946065254854775, 1.5149000540039056e-17, -2.4170679317103933e-50], [-1.2973032627427388, 2.2469951638953, -1.5696429083594878e-38], [2.8804350474989e-45, 1.4516342291644258e-35, 8.333199999999998]])
forces =  [[ 2.98489283e-31 -1.10785415e-31  4.12901316e-67]
 [-2.55847957e-31  1.47713887e-31 -1.03185827e-69]
 [ 7.46223207e-32 -1.84642358e-32  4.12256405e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.42746288e-11 -3.42746288e-11  1.58516430e-56 -2.14281810e-37
 -4.00802648e-53 -1.87845101e-27]
energy per atom =  -7.375687694255819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0