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_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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 15:10:44       -4.485411        66.383176
BFGS:    1 15:10:44       -7.753293         2.910800
BFGS:    2 15:10:44       -7.786910         5.280852
BFGS:    3 15:10:44       -7.806501         3.249594
BFGS:    4 15:10:44       -7.835442         2.336666
BFGS:    5 15:10:44       -7.838467         0.955077
BFGS:    6 15:10:44       -7.839536         0.044070
BFGS:    7 15:10:44       -7.839548         0.020926
BFGS:    8 15:10:44       -7.839549         0.000594
BFGS:    9 15:10:44       -7.839549         0.000001
BFGS:   10 15:10:44       -7.839549         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.060064386627825e-31 eV/Angstrom
Maximum stress component: 2.300025009210084e-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([[2.785537979965399, -3.166573218925333e-18, 2.742730989521516e-35], [-1.3927689899826996, 2.4123466538564244, 4.0593081781338937e-35], [1.8660849537864216e-36, 9.84637413715853e-35, 4.548758161338566]])
forces =  [[-2.28896043e-32 -1.18937873e-31 -2.90290731e-66]
 [ 2.06006439e-31 -1.18937873e-31 -6.49122671e-67]]
stress =  [-2.30002501e-13 -2.30002501e-13  1.85428112e-13 -8.61181075e-33
  5.83673234e-33  4.67911103e-30]
energy per atom =  -3.919774377104029
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0