element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF24_227_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4593']
model name:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.    0.    0.   ]]
spacegroup =  227
cell =  [[7.4593, 0, 0], [0, 7.4593, 0], [0, 0, 7.4593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:11:36     -464.629599         0.369346
BFGS:    1 16:11:36     -464.635358         0.357906
BFGS:    2 16:11:36     -464.680787         0.248443
BFGS:    3 16:11:36     -464.709596         0.137061
BFGS:    4 16:11:36     -464.721764         0.023754
BFGS:    5 16:11:36     -464.722312         0.000244
BFGS:    6 16:11:36     -464.722302         0.000001
BFGS:    7 16:11:36     -464.722319         0.000001
BFGS:    8 16:11:36     -464.722304         0.000000
BFGS:    9 16:11:36     -464.722305         0.000000
BFGS:   10 16:11:36     -464.722305         0.000000
BFGS:   11 16:11:36     -464.722306         0.000000
BFGS:   12 16:11:36     -464.722306         0.000000
BFGS:   13 16:11:36     -464.722306         0.000000
BFGS:   14 16:11:36     -464.722306         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.3034942516204425e-30 eV/Angstrom
Maximum stress component: 5.499113367212261e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.2500000e-01 1.2500000e-01 1.2500000e-01]
 [8.7500000e-01 3.7500000e-01 6.2500000e-01]
 [3.7500000e-01 6.2500000e-01 8.7500000e-01]
 [6.2500000e-01 8.7500000e-01 3.7500000e-01]
 [3.7500000e-01 8.7500000e-01 6.2500000e-01]
 [8.7500000e-01 6.2500000e-01 3.7500000e-01]
 [6.2500000e-01 3.7500000e-01 8.7500000e-01]
 [1.2500000e-01 6.2500000e-01 6.2500000e-01]
 [8.7500000e-01 8.7500000e-01 1.2500000e-01]
 [3.7500000e-01 1.2500000e-01 3.7500000e-01]
 [3.7500000e-01 3.7500000e-01 1.2500000e-01]
 [8.7500000e-01 1.2500000e-01 8.7500000e-01]
 [6.2500000e-01 1.2500000e-01 6.2500000e-01]
 [1.2500000e-01 8.7500000e-01 8.7500000e-01]
 [1.2500000e-01 3.7500000e-01 3.7500000e-01]
 [6.2500000e-01 6.2500000e-01 1.2500000e-01]
 [1.0000000e+00 1.2839533e-34 1.0000000e+00]
 [1.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.0000000e+00]
 [5.0000000e-01 2.1172630e-33 5.0000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]]
cellpar =  Cell([[7.407814708199338, 5.737749909035849e-33, 1.9172734766525172e-34], [4.697590667322249e-33, 7.407814708199338, 1.130904906687474e-19], [2.046795353174508e-33, 1.1309049066874846e-19, 7.407814708199338]])
forces =  [[-1.09570039e-30  1.27831712e-30 -3.34797342e-31]
 [-2.78490516e-30 -7.00030805e-31 -9.13083659e-31]
 [ 1.24407649e-30  2.64984487e-30  1.14896360e-30]
 [ 1.24788100e-30 -1.73485895e-30 -8.52211415e-31]
 [ 1.43049773e-30 -3.04361220e-31  1.64355059e-30]
 [-1.21744488e-30 -8.52211415e-31  6.08722439e-32]
 [-3.38591633e-64 -8.52211415e-31  7.30466927e-31]
 [-6.08722439e-31  1.52180610e-30 -1.82616732e-31]
 [ 2.00878405e-30 -1.82616732e-31 -2.89143159e-30]
 [-1.15657263e-30 -1.82616732e-31  4.26105707e-31]
 [-1.46093385e-30  9.73955903e-31  3.65233464e-31]
 [ 1.33918937e-30  2.67837873e-30  1.64355059e-30]
 [-9.73955903e-31  1.36962549e-30 -8.29384323e-31]
 [ 9.13083659e-31 -2.06965629e-30 -9.43519781e-31]
 [ 8.52211415e-31  1.61311446e-30 -3.16535668e-30]
 [-3.65233464e-31  2.06965629e-30 -2.43488976e-31]
 [-8.06557232e-31  5.30349425e-30  1.61311446e-30]
 [ 1.33918937e-30  3.71320688e-30  3.21101087e-30]
 [-2.43488976e-31 -3.65233464e-30  1.38484355e-30]
 [ 3.34797342e-30 -2.15335563e-30  1.88703956e-30]
 [-2.92186771e-30 -7.30466927e-31 -1.46093385e-30]
 [ 1.88703956e-30 -9.73955903e-31  4.86977951e-31]
 [-2.73925098e-30 -3.19579281e-30 -8.82647537e-31]
 [ 1.70442283e-30  3.65233464e-31 -8.52211415e-31]]
stress =  [-5.49911337e-10 -5.49911337e-10 -5.49911337e-10  6.92803302e-26
 -2.99487689e-34  3.33913110e-50]
energy per atom =  -19.363429407254063
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0