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 16:31:51      -51.468412         0.680978
BFGS:    1 16:31:51      -51.487772         0.645720
BFGS:    2 16:31:51      -51.570964         0.463118
BFGS:    3 16:31:51      -51.626588         0.278140
BFGS:    4 16:31:51      -51.654283         0.090714
BFGS:    5 16:31:51      -51.657547         0.000901
BFGS:    6 16:31:51      -51.657547         0.000003
BFGS:    7 16:31:51      -51.657547         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.818527927681518e-30 eV/Angstrom
Maximum stress component: 3.5288699186940512e-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 6.98931008e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.00500283e-49 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [4.00500283e-49 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 2.25461616e-34]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.38192423e-33 7.50000000e-01]
 [5.00000000e-01 3.49465504e-33 2.50000000e-01]]
cellpar =  Cell([[6.833730662842917, 1.65695953326592e-32, -6.175579254368376e-34], [2.7625113963506733e-32, 6.833730662842917, 1.5040683834777982e-17], [1.9382095651083857e-33, 1.504068383477789e-17, 6.833730662842917]])
forces =  [[ 1.54425762e-31 -7.01935281e-33 -1.40387056e-32]
 [-1.40387056e-31  7.01935281e-33  2.10580584e-32]
 [-1.40387056e-32 -3.62198605e-30  7.01935281e-33]
 [ 1.57935438e-32  3.42895385e-30 -8.77419101e-34]
 [-7.01935281e-33 -2.45677348e-32  3.45352158e-30]
 [ 3.50967640e-33  7.01935281e-33 -3.81852793e-30]
 [ 1.40387056e-32 -2.52696701e-31  3.50967640e-33]
 [-1.93032202e-32 -4.91354697e-31 -5.26451461e-33]
 [ 1.12309645e-31  1.05290292e-32  1.40387056e-32]
 [-2.80774112e-31 -3.86230712e-50 -1.75483820e-32]
 [-1.72724138e-64 -2.10580584e-32 -3.08851524e-31]
 [ 1.05290292e-32 -1.11234445e-48 -5.05393402e-31]]
stress =  [-3.52886992e-12 -3.52886992e-12 -3.52886992e-12  5.99471182e-29
  2.19949763e-35 -3.36912301e-52]
energy per atom =  -4.304795615489366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0