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_JustoBazantKaxiras_1998_Si__MO_958932894036_002
==== 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 15:45:51      -51.468412         0.680978
BFGS:    1 15:45:51      -51.487772         0.645720
BFGS:    2 15:45:51      -51.570964         0.463118
BFGS:    3 15:45:51      -51.626588         0.278140
BFGS:    4 15:45:51      -51.654283         0.090714
BFGS:    5 15:45:51      -51.657547         0.000901
BFGS:    6 15:45:51      -51.657547         0.000003
BFGS:    7 15:45:51      -51.657547         0.000000
Minimization converged after 7 steps.
Maximum force component: 4.2677665074087554e-30 eV/Angstrom
Maximum stress component: 3.528669768418431e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.41205061e-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]
 [2.14282824e-39 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.31171700e-38 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 3.69193395e-33 7.50000000e-01]
 [5.00000000e-01 3.67784260e-33 2.50000000e-01]]
cellpar =  Cell([[6.8337306628429175, -1.9239242844884728e-32, 5.404828463947009e-32], [-2.4002707536778636e-33, 6.8337306628429175, 2.002662904348179e-18], [1.5101771430098124e-32, 2.0026629043481267e-18, 6.8337306628429175]])
forces =  [[-1.68464467e-31  4.74283954e-64 -1.33239309e-63]
 [ 1.01078680e-30  2.80774112e-32 -2.80774112e-32]
 [ 1.40387056e-32 -1.34771574e-30 -3.94955618e-49]
 [-1.40387056e-32  4.26776651e-30  2.10580584e-32]
 [-7.01935281e-33  1.06144322e-48  3.62198605e-30]
 [ 1.40387056e-32 -2.80774112e-32 -1.23540609e-30]
 [-1.40387056e-32  3.48159899e-30  2.80774112e-32]
 [ 7.01935281e-33 -3.56583123e-30 -1.04498674e-48]
 [-1.20732868e-30  2.80774112e-32 -2.10580584e-32]
 [-2.92005077e-30  8.22092187e-63 -2.30948135e-62]
 [-1.40387056e-32  6.25346395e-49  2.13388325e-30]
 [ 1.40387056e-32 -2.80774112e-32 -3.11659265e-30]]
stress =  [-3.52866977e-12 -3.52866977e-12 -3.52866977e-12  3.14704935e-28
 -2.19949763e-35 -4.01490594e-51]
energy per atom =  -4.304795615489368
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0