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 16:31:56      -51.468411         0.680978
BFGS:    1 16:31:56      -51.487771         0.645720
BFGS:    2 16:31:56      -51.570964         0.463118
BFGS:    3 16:31:56      -51.626588         0.278140
BFGS:    4 16:31:56      -51.654283         0.090714
BFGS:    5 16:31:56      -51.657547         0.000901
BFGS:    6 16:31:56      -51.657547         0.000003
BFGS:    7 16:31:56      -51.657547         0.000000
Minimization converged after 7 steps.
Maximum force component: 7.30012692160769e-31 eV/Angstrom
Maximum stress component: 3.4215420570373537e-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 7.21477170e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.68416132e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [3.88542209e-36 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 3.38192423e-33 7.50000000e-01]
 [5.00000000e-01 3.49465504e-33 2.50000000e-01]]
cellpar =  Cell([[6.83373066381655, 8.721849878747184e-33, 3.5331093562615043e-33], [1.6172148771743366e-33, 6.83373066381655, 1.7047014016513753e-17], [-4.315307655671085e-33, 1.704701401651367e-17, 6.83373066381655]])
forces =  [[-4.21161169e-32  8.75502794e-51  3.50967640e-33]
 [ 1.96541879e-31 -8.75502794e-51 -3.50967640e-33]
 [ 3.50967640e-33  1.61445115e-31  4.02731285e-49]
 [-3.50967640e-33  5.61548225e-32 -4.38709551e-34]
 [ 1.66114270e-66  7.01935281e-33  1.75100559e-50]
 [-4.38709551e-34  1.75483820e-33  1.82503173e-31]
 [-4.38709551e-33  6.73857870e-31  1.68096536e-48]
 [ 3.94838596e-33 -7.30012692e-31 -1.82104581e-48]
 [ 2.49187025e-31 -8.75502794e-51 -3.50967640e-33]
 [ 7.01935281e-32  1.75483820e-33  4.38709551e-33]
 [-2.55425179e-64  7.01935281e-33  4.07122463e-31]
 [ 2.21626140e-64 -8.75502794e-49 -3.50967640e-31]]
stress =  [-3.42154206e-12 -3.42154206e-12 -3.42154206e-12  3.60220469e-29
  2.69223300e-61  5.32564725e-62]
energy per atom =  -4.304795596453972
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0