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:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 16:31:45      -52.331574         1.061522
BFGS:    1 16:31:45      -52.378267         0.991122
BFGS:    2 16:31:45      -52.509333         0.755535
BFGS:    3 16:31:46      -52.604654         0.514490
BFGS:    4 16:31:46      -52.663399         0.267812
BFGS:    5 16:31:46      -52.684708         0.015324
BFGS:    6 16:31:46      -52.684776         0.000191
BFGS:    7 16:31:46      -52.684777         0.000000
BFGS:    8 16:31:46      -52.684777         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.956469249711705e-31 eV/Angstrom
Maximum stress component: 4.569114224572415e-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 1.12412761e-34 5.00000000e-01]
 [7.50000000e-01 7.41924222e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.62063805e-35]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 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 3.82203387e-33 2.50000000e-01]]
cellpar =  Cell([[6.85306517751469, -4.745820069720422e-33, 7.597172457265381e-34], [1.1729242345624076e-32, 6.85306517751469, 1.268240922443162e-17], [-2.6316369547799964e-33, 1.2682409224431539e-17, 6.85306517751469]])
forces =  [[-4.22352750e-32  2.92483743e-65 -4.68211902e-66]
 [-7.03921250e-32  4.87472906e-65 -7.80353169e-66]
 [ 4.57817901e-64  2.67490075e-31  4.95022082e-49]
 [-3.61435185e-64 -2.11176375e-31 -3.90806907e-49]
 [ 1.02718528e-64 -4.95022082e-49 -2.67490075e-31]
 [-1.13531004e-64  5.47129670e-49  2.95646925e-31]
 [ 4.57817901e-64  2.67490075e-31  4.95022082e-49]
 [-4.57817901e-64 -2.67490075e-31 -4.95022082e-49]
 [-1.40784250e-32  9.74945812e-66 -1.56070634e-66]
 [-1.40784250e-32  9.74945812e-66 -1.56070634e-66]
 [-1.09987695e-34  5.21075876e-49  2.81568500e-31]
 [ 9.73122895e-65 -4.68968288e-49 -2.53411650e-31]]
stress =  [-4.56911422e-14 -4.56911422e-14 -4.56911422e-14 -4.47054693e-30
  2.18710427e-35  9.95228327e-52]
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