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 15:45:52      -46.454114         1.507032
BFGS:    1 15:45:52      -46.547964         1.399686
BFGS:    2 15:45:52      -46.739966         1.163289
BFGS:    3 15:45:52      -46.897802         0.943917
BFGS:    4 15:45:52      -47.023922         0.740162
BFGS:    5 15:45:52      -47.120553         0.550454
BFGS:    6 15:45:52      -47.189675         0.373082
BFGS:    7 15:45:52      -47.233003         0.206217
BFGS:    8 15:45:52      -47.251971         0.047963
BFGS:    9 15:45:52      -47.253091         0.001409
BFGS:   10 15:45:52      -47.253092         0.000009
BFGS:   11 15:45:52      -47.253092         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.1695166093325704e-30 eV/Angstrom
Maximum stress component: 6.154348027225486e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.20715150e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.10879254e-34]
 [6.85772384e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [9.34689435e-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 1.10879254e-34]
 [5.00000000e-01 3.43725687e-33 7.50000000e-01]
 [5.00000000e-01 3.60357575e-33 2.50000000e-01]]
cellpar =  Cell([[6.947845975643485, -5.187893764986847e-32, -2.0453349063184109e-32], [-2.1668925627559494e-32, 6.947845975643485, -7.911545127249106e-18], [9.931697044940119e-33, -7.911545127249242e-18, 6.947845975643485]])
forces =  [[-2.01251212e-30  1.50272460e-62  5.92451430e-63]
 [-8.56388135e-31  6.39457277e-63  2.52106992e-63]
 [-4.80762233e-63  1.54149864e-30 -1.75531181e-48]
 [-3.58345924e-63  1.14898741e-30 -1.30835741e-48]
 [ 2.85641108e-63 -2.27540420e-48  1.99823898e-30]
 [-1.22417618e-63  9.75173227e-49 -8.56388135e-31]
 [ 1.78060086e-63 -5.70925424e-31  6.50115484e-49]
 [-4.56278971e-63  1.46299640e-30 -1.66592093e-48]
 [ 3.92511229e-31 -2.93084585e-63 -1.15549038e-63]
 [ 2.16951661e-30 -1.61995843e-62 -6.38671045e-63]
 [-2.04029363e-63  1.62528871e-48 -1.42731356e-30]
 [ 1.95868188e-63 -1.56027716e-48  1.37022102e-30]]
stress =  [-6.15434803e-11 -6.15434803e-11 -6.15434803e-11  2.56160016e-27
  1.06391971e-34 -2.45067272e-51]
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