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:
ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_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      -11.638068         6.175994
BFGS:    1 15:31:42      -12.333777         5.124831
BFGS:    2 15:31:42      -13.028329         4.154393
BFGS:    3 15:31:42      -13.585381         3.289714
BFGS:    4 15:31:42      -14.020019         2.520584
BFGS:    5 15:31:42      -14.345868         1.837710
BFGS:    6 15:31:42      -14.575222         1.232647
BFGS:    7 15:31:42      -14.719168         0.697733
BFGS:    8 15:31:42      -14.787701         0.226023
BFGS:    9 15:31:42      -14.796485         0.020534
BFGS:   10 15:31:42      -14.796561         0.000693
BFGS:   11 15:31:42      -14.796561         0.000002
BFGS:   12 15:31:42      -14.796561         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3762570068339858e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.39410911e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.19912685e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.28036340177305, 5.024842766161185e-33, 3.231281369201686e-33], [2.9364379225978154e-32, 4.28036340177305, -3.919875902101035e-17], [-4.317491542667106e-33, -3.9198759021010344e-17, 4.28036340177305]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37625701e-11 -1.37625701e-11 -1.37625701e-11  9.29612005e-29
 -1.99725171e-34  3.34713879e-51]
energy per atom =  -3.699140274232816
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0