element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:31      -29.475373        0.6597
BFGS:    1 15:24:31      -29.480244        0.4971
BFGS:    2 15:24:31      -29.489356        0.3268
BFGS:    3 15:24:31      -29.497049        0.0465
BFGS:    4 15:24:31      -29.497109        0.0395
BFGS:    5 15:24:31      -29.497254        0.0051
BFGS:    6 15:24:31      -29.497256        0.0011
BFGS:    7 15:24:31      -29.497256        0.0000
BFGS:    8 15:24:31      -29.497256        0.0000
BFGS:    9 15:24:31      -29.497256        0.0000
Minimization converged after 9 steps.
Maximum force component: 8.601376857356535e-10 eV/Angstrom
Maximum stress component: 5.289543925868099e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.518213737288102, 1.1731153880614363e-18, -2.9189307374161295e-38], [-1.259106868644051, 2.1808370686504497, -6.378408571099266e-38], [-5.780099324971005e-38, -4.019066660655588e-36, 4.112225812549493]])
forces =  [[ 2.89700887e-31  7.16823793e-32 -8.60137686e-10]
 [ 7.24252218e-32  1.61285354e-31 -8.60137686e-10]
 [ 1.24157523e-31 -2.15047138e-31  8.60137686e-10]
 [-6.20787615e-32 -1.79205948e-31  8.60137686e-10]]
stress =  [ 2.99839681e-10  2.99839681e-10 -5.28954393e-10  2.44894861e-45
  7.51494890e-46 -4.76261248e-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