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_Gong_Gong_1993_Si__MO_407755720412_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 15:34:26      -52.844224         0.571132
BFGS:    1 15:34:26      -52.857952         0.550519
BFGS:    2 15:34:26      -52.930739         0.418230
BFGS:    3 15:34:26      -52.982873         0.275001
BFGS:    4 15:34:26      -53.012649         0.119979
BFGS:    5 15:34:26      -53.019190         0.008567
BFGS:    6 15:34:26      -53.019222         0.000240
BFGS:    7 15:34:26      -53.019222         0.000000
BFGS:    8 15:34:26      -53.019222         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.0542409622173497e-29 eV/Angstrom
Maximum stress component: 9.990797680587465e-13 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 1.16340654e-34 5.00000000e-01]
 [7.50000000e-01 7.32946122e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [9.91331686e-37 2.50000000e-01 5.00000000e-01]
 [7.52318298e-37 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 3.49021963e-33 7.50000000e-01]
 [5.00000000e-01 3.72290094e-33 2.50000000e-01]]
cellpar =  Cell([[6.621691979346628, 2.249008929558116e-32, -5.6920921449086185e-33], [1.2257424829579426e-33, 6.621691979346628, -1.0006482956017897e-17], [6.063149941184596e-33, -1.000648295601799e-17, 6.621691979346628]])
forces =  [[-4.33928576e-66  1.02023319e-32 -6.80155459e-33]
 [-9.25011425e-31 -1.36031092e-32  1.36031092e-32]
 [ 1.81062972e-63  9.84865105e-30 -1.36031092e-32]
 [-1.30866782e-63 -7.01920434e-30 -1.02023319e-32]
 [-1.36031092e-32 -1.36031092e-32 -1.05424096e-29]
 [-1.36031092e-32  1.36031092e-32  9.57658887e-30]
 [-1.36031092e-32 -1.46913579e-30  2.22010965e-48]
 [-1.36031092e-32 -1.00663008e-30  1.52118624e-48]
 [ 1.57796067e-30  1.36031092e-32  1.36031092e-32]
 [ 1.25148605e-30 -1.36031092e-32 -1.36031092e-32]
 [-1.69649085e-63 -1.36031092e-32 -1.85002285e-30]
 [ 3.40077730e-33  8.50194324e-33  2.50297209e-30]]
stress =  [-9.99079768e-13 -9.99079768e-13 -9.99079768e-13 -1.39842384e-30
 -7.02785057e-35 -3.42562956e-52]
energy per atom =  -4.418268536370921
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0