element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:59:56      -36.963541        6.0304
BFGS:    1 16:59:56      -37.677408        1.0647
BFGS:    2 16:59:56      -37.704538        0.2579
BFGS:    3 16:59:56      -37.706670        0.2092
BFGS:    4 16:59:56      -37.712933        0.2005
BFGS:    5 16:59:57      -37.714751        0.1194
BFGS:    6 16:59:57      -37.715129        0.0346
BFGS:    7 16:59:57      -37.715162        0.0264
BFGS:    8 16:59:57      -37.715194        0.0195
BFGS:    9 16:59:57      -37.715254        0.0333
BFGS:   10 16:59:57      -37.715312        0.0300
BFGS:   11 16:59:57      -37.715338        0.0124
BFGS:   12 16:59:57      -37.715342        0.0019
BFGS:   13 16:59:57      -37.715342        0.0001
BFGS:   14 16:59:57      -37.715342        0.0000
BFGS:   15 16:59:57      -37.715342        0.0000
BFGS:   16 16:59:57      -37.715342        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.419275145481353e-09 eV/Angstrom
Maximum stress component: 3.46418459010913e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[1.28285923e-35 5.00000000e-01 6.07991911e-01]
 [5.00000000e-01 9.02577097e-35 1.07991911e-01]
 [1.92339345e-35 5.00000000e-01 3.92008089e-01]
 [5.00000000e-01 1.44412336e-33 8.92008089e-01]
 [1.17343724e-35 1.80515419e-34 2.50000000e-01]
 [8.77214955e-36 4.81374452e-34 7.50000000e-01]]
cellpar =  Cell([[3.2007181727947125, -4.1888005162984224e-36, -1.4032186644811716e-32], [-5.6494668828059515e-36, 3.200718172794713, 2.247757161977507e-18], [-1.3326360194478376e-32, 4.8896400316616114e-18, 6.940629750638128]])
forces =  [[ 1.23287180e-33 -3.11335793e-27 -4.41927515e-09]
 [-1.97259487e-32 -3.11336255e-27 -4.41927515e-09]
 [-1.23287180e-33  3.11335793e-27  4.41927515e-09]
 [ 1.97259487e-32  3.11336163e-27  4.41927515e-09]
 [ 3.94518974e-32 -5.16309526e-68 -1.72960054e-64]
 [-3.94518974e-32 -3.61616800e-49 -5.13299200e-31]]
stress =  [1.81429866e-11 1.81429866e-11 3.46418459e-10 3.17539756e-25
 2.77424075e-34 2.56779308e-49]
energy per atom =  -6.285890347360097
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0