element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
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.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:48      -58.969544         0.511618
BFGS:    1 15:48:48      -58.979940         0.333029
BFGS:    2 15:48:48      -58.982654         0.340063
BFGS:    3 15:48:48      -58.985249         0.299720
BFGS:    4 15:48:48      -58.992773         0.144553
BFGS:    5 15:48:48      -58.994134         0.086831
BFGS:    6 15:48:48      -58.994347         0.028116
BFGS:    7 15:48:48      -58.994378         0.026422
BFGS:    8 15:48:48      -58.994436         0.026680
BFGS:    9 15:48:48      -58.994486         0.028889
BFGS:   10 15:48:48      -58.994509         0.013266
BFGS:   11 15:48:48      -58.994512         0.002325
BFGS:   12 15:48:48      -58.994512         0.000090
BFGS:   13 15:48:48      -58.994512         0.000009
BFGS:   14 15:48:48      -58.994512         0.000000
BFGS:   15 15:48:48      -58.994512         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.365317145299534e-09 eV/Angstrom
Maximum stress component: 1.448400787229509e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.32381146e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 2.20521554e-35 5.93750000e-01]
 [0.00000000e+00 4.62732313e-35 9.06250000e-01]
 [4.24035098e-35 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.518213737105389, 1.430214729236948e-19, -5.884515348940752e-38], [-1.2591068685526945, 2.1808370684922136, 6.073843247163075e-37], [-1.7251816429804878e-37, -5.675008061961605e-37, 8.224451625799881]])
forces =  [[-3.72472569e-31  7.16823793e-32  6.36531715e-09]
 [ 1.65543364e-31 -1.43364759e-31  6.36531715e-09]
 [ 2.48315046e-31 -1.43364759e-31 -6.36531715e-09]
 [-2.06929205e-31  1.43364759e-31 -6.36531715e-09]
 [ 1.86236285e-31 -2.50888328e-31 -3.15331670e-09]
 [-1.65543364e-31 -7.16823793e-32 -3.15331670e-09]
 [ 1.65543364e-31 -1.43364759e-31  3.15331670e-09]
 [ 4.13858410e-31 -1.43364759e-31  3.15331670e-09]]
stress =  [-1.44840079e-10 -1.44840079e-10 -1.33042778e-10  1.60349302e-33
 -3.96761626e-34 -2.72768970e-26]
energy per atom =  -7.374314033582735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0