element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:21       -5.616754         6.802504
BFGS:    1 16:00:21       -6.398622         4.717213
BFGS:    2 16:00:21       -6.794287         3.261079
BFGS:    3 16:00:21       -7.104420         2.021279
BFGS:    4 16:00:21       -7.266120         1.050636
BFGS:    5 16:00:21       -7.319429         0.350790
BFGS:    6 16:00:21       -7.322653         0.204371
BFGS:    7 16:00:21       -7.324246         0.170458
BFGS:    8 16:00:21       -7.328715         0.241016
BFGS:    9 16:00:21       -7.335095         0.250883
BFGS:   10 16:00:21       -7.340057         0.144686
BFGS:   11 16:00:21       -7.341498         0.060563
BFGS:   12 16:00:21       -7.341825         0.003676
BFGS:   13 16:00:21       -7.341828         0.000161
BFGS:   14 16:00:21       -7.341828         0.000002
BFGS:   15 16:00:21       -7.341828         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.459245667228608e-33 eV/Angstrom
Maximum stress component: 5.7728158627988116e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.8942159086732677, 2.3920910403055773e-17, -5.604474853096134e-37], [-1.4471079543366339, 2.5064645009481126, 3.0442142823221344e-36], [-1.697099316528752e-35, -4.3225177930415904e-35, 5.449625777224348]])
forces =  [[-4.45924567e-33  2.57454669e-33  3.70257389e-69]
 [ 4.45924567e-33 -2.57454669e-33 -3.70257389e-69]]
stress =  [-3.14651738e-11 -3.14651738e-11 -5.77281586e-11 -3.00795245e-33
 -1.04198529e-33  7.43495351e-27]
energy per atom =  -3.670913756542002
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0