element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:31:42      -15.416030         2.187700
BFGS:    1 15:31:42      -15.599452         1.732179
BFGS:    2 15:31:42      -15.809378         1.080526
BFGS:    3 15:31:42      -15.927074         0.498614
BFGS:    4 15:31:42      -15.959748         0.015064
BFGS:    5 15:31:42      -15.959780         0.000773
BFGS:    6 15:31:42      -15.959780         0.000002
BFGS:    7 15:31:42      -15.959780         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0338368280067611e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.14476542e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.81588473e-34]]
cellpar =  Cell([[4.03771095444792, -8.167655678990718e-33, -7.184564959478239e-33], [5.996168714058016e-34, 4.03771095444792, 1.5788659212413316e-17], [-2.0049846235629307e-32, 1.5788659212413322e-17, 4.03771095444792]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03383683e-11 -1.03383683e-11 -1.03383683e-11 -1.35853812e-29
 -7.87551158e-36  4.07626546e-53]
energy per atom =  -3.989944912414813
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0