element(s):
['Si']
AFLOW prototype label:
A_hP1_191_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:
['2.6513', '0.93471127']
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 =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:41:51       -3.346520        5.4306
BFGS:    1 14:41:51       -3.766717        1.9605
BFGS:    2 14:41:51       -3.837740        0.5817
BFGS:    3 14:41:51       -3.850292        0.1009
BFGS:    4 14:41:51       -3.850695        0.0098
BFGS:    5 14:41:51       -3.850697        0.0042
BFGS:    6 14:41:51       -3.850698        0.0039
BFGS:    7 14:41:51       -3.850698        0.0011
BFGS:    8 14:41:51       -3.850698        0.0002
BFGS:    9 14:41:51       -3.850698        0.0000
BFGS:   10 14:41:51       -3.850698        0.0000
BFGS:   11 14:41:51       -3.850698        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.421289030665521e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.885991055232898, -1.5446975835364563e-17, -3.572780729556466e-36], [-1.442995527616449, 2.49934156892635, -9.50880670418889e-36], [-8.935060671661275e-35, -2.9036178963357287e-34, 2.7076439353874227]])
forces =  [[0. 0. 0.]]
stress =  [-1.97254342e-10 -1.97254342e-10 -5.42128903e-10  1.13836966e-34
 -6.57238029e-35  2.15679854e-26]
energy per atom =  -3.8506983470648763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0