element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:56      -52.331574         1.061522
BFGS:    1 16:31:56      -52.378267         0.991122
BFGS:    2 16:31:56      -52.509333         0.755535
BFGS:    3 16:31:56      -52.604654         0.514490
BFGS:    4 16:31:56      -52.663399         0.267812
BFGS:    5 16:31:57      -52.684708         0.015324
BFGS:    6 16:31:57      -52.684776         0.000191
BFGS:    7 16:31:57      -52.684777         0.000000
BFGS:    8 16:31:57      -52.684777         0.000000
Minimization converged after 8 steps.
Maximum force component: 3.82933159962659e-30 eV/Angstrom
Maximum stress component: 4.5538463666344597e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.08200394e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.92903521e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.59720835e-33 7.50000000e-01]
 [5.00000000e-01 3.59720835e-33 2.50000000e-01]]
cellpar =  Cell([[6.85306517751469, 1.0479825658293618e-32, -2.4509546846246506e-32], [1.809450075038958e-32, 6.85306517751469, 1.0551300063088219e-17], [-8.998054625736034e-33, 1.0551300063088122e-17, 6.85306517751469]])
forces =  [[ 2.81568500e-31 -7.03921250e-33 -2.11176375e-32]
 [-7.88391800e-31  1.40784250e-32  2.11176375e-32]
 [-2.11176375e-32  9.01019200e-31  1.38725135e-48]
 [ 2.11176375e-32 -1.97097950e-31  1.40784250e-32]
 [ 3.07733676e-63 -2.81568500e-32 -2.40037146e-30]
 [ 1.40784250e-32  2.11176375e-32  3.15356720e-30]
 [ 4.22352750e-32  2.30886170e-30  2.81568500e-32]
 [-1.40784250e-32 -2.99166531e-30 -4.60610801e-48]
 [-1.58382281e-30  2.81568500e-32  1.40784250e-32]
 [ 5.63137000e-31  2.16758024e-50  1.40784250e-32]
 [-5.06507323e-63 -1.40784250e-32  3.82933160e-30]
 [ 2.81568500e-32 -7.03921250e-33 -1.35152880e-30]]
stress =  [-4.55384637e-14 -4.55384637e-14 -4.55384637e-14 -5.17968747e-30
 -2.62452513e-34 -1.55385997e-50]
energy per atom =  -4.390398042417391
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0