element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP9_180_i_d
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1077', '1.0935059', '0.20837965']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.20837965 0.4167593  0.        ]
 [0.5        0.         0.5       ]]
spacegroup =  180
cell =  [[5.1077, 0, 0], [-2.55385, 4.4233979549098, 0], [0, 0, 5.5853]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:25      -68.545408         1.043892
BFGS:    1 15:37:25      -68.635370         0.631727
BFGS:    2 15:37:25      -68.695331         0.312948
BFGS:    3 15:37:25      -68.697099         0.296385
BFGS:    4 15:37:25      -68.709383         0.150381
BFGS:    5 15:37:25      -68.711811         0.129917
BFGS:    6 15:37:25      -68.712450         0.133928
BFGS:    7 15:37:25      -68.717434         0.132254
BFGS:    8 15:37:25      -68.720831         0.081230
BFGS:    9 15:37:25      -68.722683         0.020084
BFGS:   10 15:37:25      -68.722780         0.002525
BFGS:   11 15:37:26      -68.722782         0.000151
BFGS:   12 15:37:26      -68.722782         0.000009
BFGS:   13 15:37:26      -68.722782         0.000000
BFGS:   14 15:37:26      -68.722782         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.227682001847241e-10 eV/Angstrom
Maximum stress component: 1.1412365477048585e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
basis =  [[2.12257061e-01 4.24514123e-01 0.00000000e+00]
 [5.75485877e-01 7.87742939e-01 6.66666667e-01]
 [2.12257061e-01 7.87742939e-01 3.33333333e-01]
 [7.87742939e-01 5.75485877e-01 0.00000000e+00]
 [4.24514123e-01 2.12257061e-01 6.66666667e-01]
 [7.87742939e-01 2.12257061e-01 3.33333333e-01]
 [5.00000000e-01 5.01977455e-17 5.00000000e-01]
 [1.30195274e-16 5.00000000e-01 1.66666667e-01]
 [5.00000000e-01 5.00000000e-01 8.33333333e-01]]
cellpar =  Cell([[5.116420847712766, 1.83355533567985e-17, 4.007252706790484e-37], [-2.558210423856383, 4.430950430571568, 1.120797802413984e-36], [4.387820632584196e-37, 1.0029975404998372e-36, 5.459346973623828]])
forces =  [[ 1.41919512e-26 -5.22768200e-10 -1.55871900e-46]
 [ 4.52730542e-10  2.61384100e-10 -3.92534606e-32]
 [-4.52730542e-10  2.61384100e-10  7.17777566e-31]
 [-1.41919512e-26  5.22768200e-10  1.55871900e-46]
 [-4.52730542e-10 -2.61384100e-10 -1.13394442e-46]
 [ 4.52730542e-10 -2.61384100e-10  7.17777566e-31]
 [ 3.36345365e-31 -5.82567261e-31 -1.47358928e-67]
 [ 5.88604389e-31  1.45641815e-31  7.17777566e-31]
 [ 3.36345365e-31  1.20535010e-48 -1.43555513e-30]]
stress =  [ 1.01281517e-11  1.01281517e-11  1.14123655e-10  6.79393844e-34
  1.17674466e-33 -1.07607503e-27]
energy per atom =  -7.63586464338291
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0