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:
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001
==== 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 15:30:45      -46.454114         1.507032
BFGS:    1 15:30:45      -46.547964         1.399686
BFGS:    2 15:30:45      -46.739966         1.163289
BFGS:    3 15:30:45      -46.897802         0.943917
BFGS:    4 15:30:45      -47.023922         0.740162
BFGS:    5 15:30:45      -47.120553         0.550454
BFGS:    6 15:30:45      -47.189675         0.373082
BFGS:    7 15:30:45      -47.233003         0.206217
BFGS:    8 15:30:45      -47.251971         0.047963
BFGS:    9 15:30:45      -47.253091         0.001409
BFGS:   10 15:30:45      -47.253092         0.000009
BFGS:   11 15:30:45      -47.253092         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.650400675014852e-30 eV/Angstrom
Maximum stress component: 6.154383645424386e-11 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 5.54396269e-35 5.00000000e-01]
 [7.50000000e-01 7.31803076e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.48618060e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [1.02269061e-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 5.54396269e-35]
 [5.00000000e-01 3.65901538e-33 7.50000000e-01]
 [5.00000000e-01 3.68673519e-33 2.50000000e-01]]
cellpar =  Cell([[6.947845975643483, -2.4250555675303485e-32, -2.3868005123687543e-32], [3.847154349942988e-32, 6.947845975643483, -5.185429111554834e-18], [-5.1078323510518746e-33, -5.1854291115549305e-18, 6.947845975643483]])
forces =  [[-1.29885534e-30  5.32627904e-51 -7.13656779e-33]
 [ 1.54149864e-30 -5.38040118e-63 -5.29552579e-63]
 [ 3.54068127e-62  6.39436474e-30 -4.77234602e-48]
 [-2.33095073e-62 -4.21057500e-30 -7.13656779e-33]
 [ 4.45958837e-63  4.52733718e-48 -6.06608262e-30]
 [-5.62432791e-63 -5.70977113e-48  7.65040068e-30]
 [-2.14865003e-62 -3.88229288e-30 -1.42731356e-32]
 [ 2.17445858e-62  3.92511229e-30 -1.42731356e-32]
 [-3.14008983e-31  1.42731356e-32 -1.06525581e-50]
 [-2.28370169e-31 -1.42731356e-32 -2.85462712e-32]
 [-1.42731356e-32  2.55661394e-48 -3.42555254e-30]
 [ 7.13656779e-33 -2.73770743e-48  3.66819585e-30]]
stress =  [-6.15438365e-11 -6.15438365e-11 -6.15438365e-11  1.09899786e-27
  8.51135766e-35  1.17880342e-50]
energy per atom =  -3.9377576808437613
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0