element(s):
['Si']
AFLOW prototype label:
A_tI4_141_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:
['4.8146', '0.54949529']
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 =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:48:37      -13.285071         5.293049
BFGS:    1 09:48:37      -13.749894         4.443663
BFGS:    2 09:48:37      -14.147749         3.670808
BFGS:    3 09:48:37      -14.531271         2.938688
BFGS:    4 09:48:37      -14.826279         2.287077
BFGS:    5 09:48:37      -15.044750         1.708712
BFGS:    6 09:48:37      -15.045050         1.186996
BFGS:    7 09:48:37      -15.078922         0.713492
BFGS:    8 09:48:37      -15.131009         0.307655
BFGS:    9 09:48:37      -15.141955         0.272404
BFGS:   10 09:48:37      -15.143496         0.292449
BFGS:   11 09:48:37      -15.149035         0.304140
BFGS:   12 09:48:37      -15.226766         0.457451
BFGS:   13 09:48:37      -15.327734         0.478777
BFGS:   14 09:48:37      -15.346256         0.317911
BFGS:   15 09:48:37      -15.356583         0.128465
BFGS:   16 09:48:37      -15.358228         0.011452
BFGS:   17 09:48:37      -15.358263         0.005710
BFGS:   18 09:48:37      -15.358267         0.003379
BFGS:   19 09:48:37      -15.358269         0.000100
BFGS:   20 09:48:37      -15.358269         0.000005
BFGS:   21 09:48:37      -15.358269         0.000000
Minimization converged after 21 steps.
Maximum force component: 6.726337388398946e-32 eV/Angstrom
Maximum stress component: 3.5717519445584833e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[9.61025781e-33 5.49694072e-33 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.82326082e-34 7.50000000e-01]]
cellpar =  Cell([[5.4570532017545625, 2.26160941867558e-36, -6.701325408889552e-39], [-7.920387832665231e-39, 5.457053201754563, 1.4331664677309446e-18], [4.773662546649063e-38, 8.195961567273308e-19, 2.6277480477938964]])
forces =  [[-2.81501110e-70  6.72633739e-32 -1.01217173e-32]
 [-9.79564965e-71  1.68158435e-32 -4.04868692e-33]
 [-1.71836593e-70 -3.36316869e-32 -1.21460608e-32]
 [-3.06237869e-70  3.36316869e-32 -1.41704042e-32]]
stress =  [-3.57175194e-10 -3.57175194e-10 -1.52899362e-10  1.20737702e-28
  5.84451667e-48 -5.04434938e-65]
energy per atom =  -3.839567168866129
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0