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_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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 15:45:59      -52.331574         1.061522
BFGS:    1 15:45:59      -52.378267         0.991122
BFGS:    2 15:45:59      -52.509333         0.755535
BFGS:    3 15:45:59      -52.604654         0.514490
BFGS:    4 15:46:00      -52.663399         0.267812
BFGS:    5 15:46:00      -52.684708         0.015324
BFGS:    6 15:46:00      -52.684776         0.000191
BFGS:    7 15:46:00      -52.684777         0.000000
BFGS:    8 15:46:00      -52.684777         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.3088616997748554e-30 eV/Angstrom
Maximum stress component: 4.553846366634461e-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 6.96959118e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 4.49651044e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.26395598e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [6.71011359e-38 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 2.24825522e-34]
 [5.00000000e-01 3.59720835e-33 7.50000000e-01]
 [5.00000000e-01 3.37238283e-33 2.50000000e-01]]
cellpar =  Cell([[6.85306517751469, -2.1602824487270613e-32, -1.2829064261902084e-33], [-4.5613403657649563e-32, 6.85306517751469, -1.6743399760670312e-17], [3.247150789727405e-33, -1.6743399760670426e-17, 6.85306517751469]])
forces =  [[ 2.25254800e-31 -2.11176375e-32 -7.03921250e-33]
 [-6.19450700e-31 -5.15945840e-50  2.11176375e-32]
 [-7.03921250e-33  1.57678360e-30  1.40784250e-32]
 [ 2.11176375e-32  4.71627237e-31 -7.03921250e-33]
 [-1.40784250e-32  3.80080102e-48 -1.55566596e-30]
 [ 1.00029068e-63  1.40784250e-32  2.30886170e-30]
 [ 2.81568500e-32  1.97097950e-30 -4.81549450e-48]
 [ 7.03921250e-33 -1.59790124e-30  1.40784250e-32]
 [-2.88607712e-31 -6.87927786e-50  2.81568500e-32]
 [ 1.06996030e-30 -2.81568500e-32  6.87927786e-50]
 [-1.40784250e-32 -1.40784250e-32  2.08360690e-30]
 [-7.27264185e-64  7.03921250e-33 -1.43599935e-30]]
stress =  [-4.55384637e-14 -4.55384637e-14 -4.55384637e-14  4.57253463e-31
 -8.74841709e-35  6.29180802e-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