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_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 15:41:00      -58.969544        0.5116
BFGS:    1 15:41:00      -58.979940        0.3330
BFGS:    2 15:41:00      -58.982654        0.3401
BFGS:    3 15:41:00      -58.985249        0.2997
BFGS:    4 15:41:00      -58.992773        0.1446
BFGS:    5 15:41:00      -58.994134        0.0868
BFGS:    6 15:41:00      -58.994347        0.0281
BFGS:    7 15:41:00      -58.994378        0.0264
BFGS:    8 15:41:00      -58.994436        0.0267
BFGS:    9 15:41:00      -58.994486        0.0289
BFGS:   10 15:41:00      -58.994509        0.0133
BFGS:   11 15:41:00      -58.994512        0.0023
BFGS:   12 15:41:00      -58.994512        0.0001
BFGS:   13 15:41:00      -58.994512        0.0000
BFGS:   14 15:41:00      -58.994512        0.0000
BFGS:   15 15:41:00      -58.994512        0.0000
Minimization converged after 15 steps.
Maximum force component: 6.365299082500698e-09 eV/Angstrom
Maximum stress component: 1.4484262417748745e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.89252146e-35 9.37500000e-02]
 [0.00000000e+00 0.00000000e+00 5.93750000e-01]
 [2.24238730e-35 1.05563210e-35 9.06250000e-01]
 [0.00000000e+00 2.79782985e-35 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([[2.5182137371053885, 2.1396843605577525e-19, 6.456793920742035e-38], [-1.2591068685526943, 2.1808370684922127, 1.4800252352007395e-37], [7.84040915042463e-37, 4.445249708971232e-36, 8.224451625799881]])
forces =  [[-3.31086728e-31  3.44036464e-45  6.36529908e-09]
 [ 4.96630092e-31 -5.73459035e-31  6.36529908e-09]
 [ 3.31086728e-31 -3.44036464e-45 -6.36529908e-09]
 [-5.79401774e-31  7.16823793e-31 -6.36529908e-09]
 [-3.06010054e-46  2.86729517e-31 -3.15326955e-09]
 [-1.65543364e-31 -1.70433080e-45 -3.15326955e-09]
 [ 2.95195341e-46  2.86729517e-31  3.15326955e-09]
 [-6.62173456e-31  1.70426047e-45  3.15326955e-09]]
stress =  [-1.44842624e-10 -1.44842624e-10 -1.33041978e-10 -2.74884518e-33
 -1.58704650e-33  1.10522117e-25]
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