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 16:40:32      -11.638068         6.175994
BFGS:    1 16:40:32      -12.333777         5.124831
BFGS:    2 16:40:32      -13.028329         4.154393
BFGS:    3 16:40:32      -13.585381         3.289714
BFGS:    4 16:40:32      -14.020019         2.520584
BFGS:    5 16:40:32      -14.345868         1.837710
BFGS:    6 16:40:32      -14.575222         1.232647
BFGS:    7 16:40:32      -14.719168         0.697733
BFGS:    8 16:40:32      -14.787701         0.226023
BFGS:    9 16:40:32      -14.796485         0.020534
BFGS:   10 16:40:32      -14.796561         0.000693
BFGS:   11 16:40:32      -14.796561         0.000002
BFGS:   12 16:40:32      -14.796561         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.376248754538378e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.19912685e-34]]
cellpar =  Cell([[4.28036340177305, -4.071132206340654e-32, 1.8292720828553506e-32], [-6.824765053619917e-32, 4.28036340177305, -1.9043123038618476e-17], [4.446921915682176e-32, -1.9043123038618516e-17, 4.28036340177305]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37624875e-11 -1.37624875e-11 -1.37624875e-11  2.96258257e-27
 -2.24252824e-34  5.71585619e-50]
energy per atom =  -3.699140274232817
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0