element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:58:34       -4.485411        66.383176
BFGS:    1 12:58:34       -7.753293         2.910800
BFGS:    2 12:58:34       -7.786910         5.280852
BFGS:    3 12:58:34       -7.806501         3.249594
BFGS:    4 12:58:34       -7.835442         2.336666
BFGS:    5 12:58:34       -7.838467         0.955077
BFGS:    6 12:58:34       -7.839536         0.044070
BFGS:    7 12:58:34       -7.839548         0.020926
BFGS:    8 12:58:34       -7.839549         0.000594
BFGS:    9 12:58:34       -7.839549         0.000001
BFGS:   10 12:58:34       -7.839549         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.4951406169937527e-31 eV/Angstrom
Maximum stress component: 2.7495969468794986e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7855379799653983, -6.819108964317144e-18, 4.714040532840923e-37], [-1.3927689899826992, 2.412346653856424, 1.0012945781115939e-36], [7.545800721989803e-36, 1.2970367115081722e-35, 4.548758161338566]])
forces =  [[-1.23031623e-31  5.45131917e-32  1.49514062e-31]
 [-9.15584172e-32  5.94689364e-32 -1.49514062e-31]]
stress =  [-2.74959695e-13 -2.74959695e-13  1.41576528e-13  3.93147882e-33
  6.80952106e-33  3.51212058e-29]
energy per atom =  -3.9197743771040288
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0