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 16:57:23       -3.346520         5.430632
BFGS:    1 16:57:23       -3.766717         1.960456
BFGS:    2 16:57:23       -3.837740         0.581668
BFGS:    3 16:57:23       -3.850292         0.100906
BFGS:    4 16:57:23       -3.850695         0.009761
BFGS:    5 16:57:23       -3.850697         0.004193
BFGS:    6 16:57:23       -3.850698         0.003914
BFGS:    7 16:57:23       -3.850698         0.001101
BFGS:    8 16:57:23       -3.850698         0.000193
BFGS:    9 16:57:23       -3.850698         0.000010
BFGS:   10 16:57:23       -3.850698         0.000000
BFGS:   11 16:57:23       -3.850698         0.000000
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, -1.1157546509711492e-17, -7.616041924994361e-37], [-1.442995527616449, 2.49934156892635, -5.1801285169141835e-36], [-7.677180627651734e-37, -3.589582410608907e-35, 2.7076439353874227]])
forces =  [[0. 0. 0.]]
stress =  [-1.97254342e-10 -1.97254342e-10 -5.42128903e-10  7.58913106e-35
 -6.57238029e-35  2.59265007e-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