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 15:07:51       -4.485411       66.3832
BFGS:    1 15:07:51       -7.753293        2.9108
BFGS:    2 15:07:51       -7.786910        5.2809
BFGS:    3 15:07:51       -7.806501        3.2496
BFGS:    4 15:07:51       -7.835442        2.3367
BFGS:    5 15:07:51       -7.838467        0.9551
BFGS:    6 15:07:51       -7.839536        0.0441
BFGS:    7 15:07:51       -7.839548        0.0209
BFGS:    8 15:07:51       -7.839549        0.0006
BFGS:    9 15:07:51       -7.839549        0.0000
BFGS:   10 15:07:51       -7.839549        0.0000
Minimization converged after 10 steps.
Maximum force component: 9.728081825742502e-32 eV/Angstrom
Maximum stress component: 3.422599039711761e-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([[2.7855379799653974, -1.701468134027712e-17, 1.871302890759676e-36], [-1.3927689899826987, 2.4123466538564236, -1.387513812799283e-35], [-4.7109289617902153e-35, -1.1096991332910658e-34, 4.548758161338565]])
forces =  [[-9.72808183e-32  4.95574470e-32 -3.31171647e-67]
 [ 5.72240107e-33 -9.91148940e-33  5.70080939e-68]]
stress =  [-3.42259904e-13 -3.42259904e-13  7.50427130e-14  2.99541243e-33
  5.18820652e-33 -3.91192821e-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