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_JustoBazantKaxiras_1998_Si__MO_315965276297_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 17:32:30      -51.468411        0.6810
BFGS:    1 17:32:30      -51.487771        0.6457
BFGS:    2 17:32:30      -51.570964        0.4631
BFGS:    3 17:32:31      -51.626588        0.2781
BFGS:    4 17:32:31      -51.654283        0.0907
BFGS:    5 17:32:31      -51.657547        0.0009
BFGS:    6 17:32:31      -51.657547        0.0000
BFGS:    7 17:32:31      -51.657547        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.4708121888518337e-30 eV/Angstrom
Maximum stress component: 3.4215644376880902e-12 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 3.52283774e-36 5.00000000e-01]
 [7.50000000e-01 7.33102534e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 7.04567549e-36]
 [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]
 [5.50131356e-36 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 1.40913510e-35]
 [7.50000000e-01 5.00000000e-01 7.04567549e-36]
 [5.00000000e-01 3.67079693e-33 7.50000000e-01]
 [5.00000000e-01 3.66903551e-33 2.50000000e-01]]
cellpar =  Cell([[6.83373066381655, -8.601693820121639e-33, -1.6198069804200343e-32], [-1.925180276305518e-32, 6.83373066381655, -3.1307982380409176e-19], [5.008954922497235e-33, -3.1307982380421425e-19, 6.83373066381655]])
forces =  [[ 8.24773955e-32  7.01935281e-33 -1.05290292e-32]
 [ 1.33367703e-31  7.01935281e-33  3.50967640e-33]
 [-3.50967640e-33  2.42869607e-30  7.01935281e-33]
 [ 3.72903118e-33 -2.31989610e-30 -7.01935281e-33]
 [ 1.05290292e-32 -1.22838674e-32 -2.47081219e-30]
 [-7.01935281e-33 -3.50967640e-33  2.33042513e-30]
 [ 7.01935281e-33  3.08851524e-31 -8.77419101e-33]
 [-1.05290292e-32 -4.94864373e-31  1.36180042e-32]
 [ 2.98322494e-32  5.26451461e-33 -1.05290292e-32]
 [ 5.61548225e-32 -7.06827081e-65 -1.33104417e-64]
 [ 1.40387056e-32 -7.01935281e-33  5.33470814e-31]
 [-8.77419101e-33 -3.50967640e-33 -2.12335422e-31]]
stress =  [-3.42156444e-12 -3.42156444e-12 -3.42156444e-12  2.99359889e-28
 -3.19281235e-61 -1.32582831e-60]
energy per atom =  -4.304795596453974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0