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_VashishtaKaliaRino_1990_SiO__SM_887826436433_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 10:21:08      -81.740805         0.884025
BFGS:    1 10:21:08      -81.805464         0.738724
BFGS:    2 10:21:08      -81.870140         0.377054
BFGS:    3 10:21:08      -81.878876         0.314586
BFGS:    4 10:21:08      -81.912425         0.153170
BFGS:    5 10:21:09      -81.916659         0.046057
BFGS:    6 10:21:09      -81.916801         0.031411
BFGS:    7 10:21:09      -81.916826         0.025501
BFGS:    8 10:21:09      -81.916880         0.022465
BFGS:    9 10:21:09      -81.916992         0.027532
BFGS:   10 10:21:09      -81.917150         0.025472
BFGS:   11 10:21:09      -81.917270         0.014274
BFGS:   12 10:21:10      -81.917305         0.004418
BFGS:   13 10:21:10      -81.917309         0.000586
BFGS:   14 10:21:10      -81.917309         0.000034
BFGS:   15 10:21:10      -81.917309         0.000002
BFGS:   16 10:21:10      -81.917309         0.000000
BFGS:   17 10:21:10      -81.917309         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.9606773077051875e-10 eV/Angstrom
Maximum stress component: 3.714555801644578e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
basis =  [[2.09344409e-01 4.18688818e-01 3.90711304e-33]
 [5.81311182e-01 7.90655591e-01 6.66666667e-01]
 [2.09344409e-01 7.90655591e-01 3.33333333e-01]
 [7.90655591e-01 5.81311182e-01 1.25163089e-32]
 [4.18688818e-01 2.09344409e-01 6.66666667e-01]
 [7.90655591e-01 2.09344409e-01 3.33333333e-01]
 [5.00000000e-01 5.01977455e-17 5.00000000e-01]
 [1.76286043e-16 5.00000000e-01 1.66666667e-01]
 [5.00000000e-01 5.00000000e-01 8.33333333e-01]]
cellpar =  Cell([[5.038279855214675, 1.4565169768601698e-17, 2.0005508983013486e-40], [-2.5191399276073376, 4.363278345991292, 2.95316214795241e-40], [-2.324606055843085e-38, 5.164119696089414e-38, 5.523733471167701]])
forces =  [[-2.20536468e-26 -2.96067731e-10 -2.68258224e-50]
 [ 2.56402176e-10  1.48033865e-10  1.00993153e-30]
 [-2.56402176e-10  1.48033865e-10  1.45248580e-30]
 [ 2.20536468e-26  2.96067731e-10 -1.81560724e-31]
 [-2.56402176e-10 -1.48033865e-10  1.45248580e-30]
 [ 2.56402176e-10 -1.48033865e-10 -3.23194429e-51]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.65604250e-31 -4.78745542e-49  3.63121449e-31]
 [-4.58447709e-69  1.01844303e-68  1.08936435e-30]]
stress =  [-6.58702530e-12 -6.58702530e-12 -3.71455580e-11  4.77322166e-33
  1.18106606e-33  1.50799285e-27]
energy per atom =  -9.101923181688433
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0