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:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 15:24:59      -29.475373        0.6597
BFGS:    1 15:24:59      -29.480244        0.4971
BFGS:    2 15:24:59      -29.489356        0.3268
BFGS:    3 15:24:59      -29.497049        0.0465
BFGS:    4 15:24:59      -29.497109        0.0395
BFGS:    5 15:24:59      -29.497254        0.0051
BFGS:    6 15:24:59      -29.497256        0.0011
BFGS:    7 15:24:59      -29.497256        0.0000
BFGS:    8 15:24:59      -29.497256        0.0000
BFGS:    9 15:24:59      -29.497256        0.0000
Minimization converged after 9 steps.
Maximum force component: 8.601113788368888e-10 eV/Angstrom
Maximum stress component: 5.289555502548311e-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([[2.518213737288103, 3.4423240160189556e-19, 2.8784388971594115e-40], [-1.2591068686440514, 2.18083706865045, 4.723293840862827e-40], [9.964641936059957e-37, 8.410388908145616e-36, 4.112225812549491]])
forces =  [[-8.27716820e-31  2.86729517e-31 -8.60111379e-10]
 [ 7.44945138e-31  4.30094276e-31 -8.60111379e-10]
 [-7.44945138e-31  7.16823793e-31  8.60111379e-10]
 [ 1.65543364e-31 -8.60188552e-31  8.60111379e-10]]
stress =  [ 2.99841834e-10  2.99841834e-10 -5.28955550e-10  7.33025381e-33
 -8.64372167e-46 -4.14390403e-27]
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