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 22:50:08      -68.545408        1.0439
BFGS:    1 22:50:08      -68.635370        0.6317
BFGS:    2 22:50:08      -68.695331        0.3129
BFGS:    3 22:50:08      -68.697099        0.2964
BFGS:    4 22:50:08      -68.709383        0.1504
BFGS:    5 22:50:08      -68.711811        0.1299
BFGS:    6 22:50:08      -68.712450        0.1339
BFGS:    7 22:50:08      -68.717434        0.1323
BFGS:    8 22:50:08      -68.720831        0.0812
BFGS:    9 22:50:08      -68.722683        0.0201
BFGS:   10 22:50:08      -68.722780        0.0025
BFGS:   11 22:50:08      -68.722782        0.0002
BFGS:   12 22:50:08      -68.722782        0.0000
BFGS:   13 22:50:08      -68.722782        0.0000
BFGS:   14 22:50:08      -68.722782        0.0000
Minimization converged after 14 steps.
Maximum force component: 5.22757153556548e-10 eV/Angstrom
Maximum stress component: 1.1412347222514117e-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([[5.116420847712768, 6.102251565198465e-18, 2.5536628069558116e-38], [-2.558210423856384, 4.430950430571565, -2.5206646496417803e-38], [1.123206280796765e-37, -3.2464404528863214e-36, 5.459346973623828]])
forces =  [[ 2.46030455e-26 -5.22757154e-10  1.46745656e-48]
 [ 4.52720975e-10  2.61378577e-10 -8.97221957e-31]
 [-4.52720975e-10  2.61378577e-10 -3.58888783e-31]
 [-2.46030455e-26  5.22757154e-10 -7.17777566e-31]
 [-4.52720975e-10 -2.61378577e-10 -1.52585269e-48]
 [ 4.52720975e-10 -2.61378577e-10  1.43555513e-30]
 [ 1.00903610e-30 -1.16513452e-30  8.30691662e-69]
 [ 1.13516561e-30 -2.18462723e-31  6.27899551e-69]
 [ 4.20431706e-32 -7.28209077e-32 -7.17777566e-31]]
stress =  [ 1.01279509e-11  1.01279509e-11  1.14123472e-10  5.43515075e-33
 -4.69960856e-47 -3.33906412e-28]
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