element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:27:15      -16.149070         5.886745
BFGS:    1 17:27:15      -16.817901         4.021053
BFGS:    2 17:27:15      -17.234898         2.458842
BFGS:    3 17:27:15      -17.451439         1.162772
BFGS:    4 17:27:15      -17.513140         0.289876
BFGS:    5 17:27:15      -17.517766         0.409317
BFGS:    6 17:27:15      -17.524140         0.482087
BFGS:    7 17:27:15      -17.534101         0.444904
BFGS:    8 17:27:15      -17.541459         0.230678
BFGS:    9 17:27:15      -17.543712         0.076103
BFGS:   10 17:27:15      -17.544091         0.005344
BFGS:   11 17:27:15      -17.544096         0.000339
BFGS:   12 17:27:15      -17.544096         0.000007
BFGS:   13 17:27:15      -17.544096         0.000000
BFGS:   14 17:27:15      -17.544096         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.7828368509747817e-31 eV/Angstrom
Maximum stress component: 4.545543508499015e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.0000000e+00 3.8518599e-34 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [0.0000000e+00 5.0000000e-01 2.5000000e-01]
 [5.0000000e-01 0.0000000e+00 7.5000000e-01]]
cellpar =  Cell([[5.1150030983505586, -1.0177873437856019e-35, 1.5647514932437167e-38], [6.468600686151351e-36, 5.115003098350557, 1.602788461018944e-19], [-2.204987284903835e-37, 7.858420720576761e-20, 2.67008874536667]])
forces =  [[ 3.30998224e-31 -3.78283685e-31  1.64556924e-32]
 [ 1.57618202e-31  3.15236404e-31 -1.64556924e-32]
 [ 1.41856382e-31 -2.52189123e-31 -3.29113848e-32]
 [-9.85113763e-32 -1.26094562e-31  3.29113848e-32]]
stress =  [-4.54554351e-12 -4.54554351e-12  3.36660327e-13 -2.30181402e-29
 -3.82951609e-49 -3.10272659e-64]
energy per atom =  -4.386023997611908
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0