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:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_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 17:34:53      -50.732948        0.2115
BFGS:    1 17:34:53      -50.734801        0.1974
BFGS:    2 17:34:53      -50.747567        0.0042
BFGS:    3 17:34:53      -50.747573        0.0001
BFGS:    4 17:34:53      -50.747573        0.0000
BFGS:    5 17:34:53      -50.747573        0.0000
Minimization converged after 5 steps.
Maximum force component: 4.302975374317684e-30 eV/Angstrom
Maximum stress component: 1.4254598062384813e-14 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 4.45371635e-37 5.00000000e-01]
 [7.50000000e-01 7.32591802e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 2.22685818e-37]
 [5.00000000e-01 7.50000000e-01 1.33611491e-36]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [4.11423023e-38 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 4.45371635e-37]
 [7.50000000e-01 5.00000000e-01 4.45371635e-37]
 [5.00000000e-01 3.66362707e-33 7.50000000e-01]
 [5.00000000e-01 3.66273633e-33 2.50000000e-01]]
cellpar =  Cell([[6.756751668877754, 2.7895521628304986e-32, 1.4192582902317935e-32], [1.2162025311487186e-33, 6.756751668877754, 3.514059088218442e-20], [1.779077917192429e-32, 3.514059088206845e-20, 6.756751668877754]])
forces =  [[-1.30477318e-30  5.20521215e-33  2.70713265e-53]
 [-7.21789418e-31 -5.20521215e-33 -2.70713265e-53]
 [ 6.92077667e-64  3.83103614e-30  9.48866798e-34]
 [-7.85948700e-64 -4.30297537e-30 -4.33767679e-33]
 [-8.67535358e-34 -1.83363118e-50 -3.52566369e-30]
 [-2.16883839e-33  2.07907787e-50  3.99760293e-30]
 [-3.29798779e-64 -1.83223468e-30 -9.52910693e-51]
 [ 5.19682924e-64  2.88715767e-30  1.50155624e-50]
 [ 1.08268413e-30  1.35356633e-53  2.60260607e-33]
 [-9.43878469e-31 -7.33181760e-54 -1.40974496e-33]
 [-5.84807795e-63 -2.16883839e-33 -2.22089052e-30]
 [ 1.05989337e-62  2.09351592e-50  4.02536406e-30]]
stress =  [-1.42545981e-14 -1.42545981e-14 -1.42545981e-14 -1.06296732e-31
 -1.39768517e-62  1.55127322e-63]
energy per atom =  -4.228964388677709
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0