element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:33      -18.947005         0.420310
BFGS:    1 15:41:33      -18.950293         0.364757
BFGS:    2 15:41:33      -18.959912         0.143685
BFGS:    3 15:41:33      -18.960793         0.085744
BFGS:    4 15:41:33      -18.961326         0.043135
BFGS:    5 15:41:33      -18.961403         0.042276
BFGS:    6 15:41:33      -18.961767         0.021550
BFGS:    7 15:41:33      -18.961816         0.009609
BFGS:    8 15:41:33      -18.961822         0.001000
BFGS:    9 15:41:33      -18.961822         0.000037
BFGS:   10 15:41:33      -18.961822         0.000002
BFGS:   11 15:41:33      -18.961822         0.000000
BFGS:   12 15:41:33      -18.961822         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.312645094266952e-10 eV/Angstrom
Maximum stress component: 2.702810323516226e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.837352190203688, -1.8994937386386205e-18, -3.075297484307008e-39], [-1.918676095101844, 3.3232444799842464, -7.737058990561067e-39], [1.4005523386141575e-36, 6.006458277159692e-36, 6.266369886337309]])
forces =  [[-1.40792730e-46 -2.18464804e-31 -6.31264509e-10]
 [-8.82914994e-31  2.18464804e-31 -6.31264509e-10]
 [ 1.41386267e-46 -2.18464804e-31  6.31264509e-10]
 [ 2.52261427e-31  6.04956542e-46  6.31264509e-10]]
stress =  [ 1.16622140e-12  1.16622140e-12 -2.70281032e-12 -9.86485919e-34
 -3.41728747e-34  3.68297789e-28]
energy per atom =  -4.740455466266336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0