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:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 14:10:02       -4.485411        66.383171
BFGS:    1 14:10:02       -7.753293         2.910800
BFGS:    2 14:10:02       -7.786910         5.280851
BFGS:    3 14:10:02       -7.806501         3.249594
BFGS:    4 14:10:02       -7.835442         2.336666
BFGS:    5 14:10:02       -7.838467         0.955077
BFGS:    6 14:10:02       -7.839536         0.044070
BFGS:    7 14:10:02       -7.839548         0.020926
BFGS:    8 14:10:02       -7.839549         0.000594
BFGS:    9 14:10:02       -7.839549         0.000001
BFGS:   10 14:10:02       -7.839549         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.2889604295864705e-32 eV/Angstrom
Maximum stress component: 3.8722226761491856e-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([[2.785537979965397, -8.573496371693158e-18, -3.5694832611817408e-37], [-1.3927689899826985, 2.4123466538564227, -7.391592646594557e-37], [2.7441134684411407e-35, -4.7222486048070144e-35, 4.548758161338565]])
forces =  [[ 2.28896043e-32 -7.04510011e-50 -2.33615721e-33]
 [-2.28896043e-32  7.04510011e-50  2.93315187e-69]]
stress =  [-3.87222268e-13 -3.87222268e-13  3.09291252e-14 -2.24655932e-33
  1.29705163e-33 -5.61750588e-29]
energy per atom =  -3.91977437710403
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0