element(s):
['O']
AFLOW prototype label:
A_oC12_63_cg
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.6235', '0.39411856', '0.73089832', '0.81430905', '0.38555224', '0.48918155']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O']
representative atom coordinates =  [[0.         0.81430905 0.25      ]
 [0.38555224 0.48918155 0.25      ]]
spacegroup =  63
cell =  [[9.6235, 0, 0], [0, 3.7928, 0], [0, 0, 7.0338]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:28:12      -10.039031       13.4359
BFGS:    1 16:28:12      -15.221704        8.0903
BFGS:    2 16:28:12      -18.033032        5.0816
BFGS:    3 16:28:12      -19.774024        3.1880
BFGS:    4 16:28:12      -20.919068        1.8285
BFGS:    5 16:28:12      -21.616337        1.0921
BFGS:    6 16:28:12      -21.940397        0.9727
BFGS:    7 16:28:12      -22.006813        0.8064
BFGS:    8 16:28:12      -22.067344        0.5487
BFGS:    9 16:28:12      -22.120666        0.3012
BFGS:   10 16:28:12      -22.135070        0.0605
BFGS:   11 16:28:12      -22.135567        0.0062
BFGS:   12 16:28:12      -22.135589        0.0030
BFGS:   13 16:28:12      -22.135599        0.0006
BFGS:   14 16:28:12      -22.135599        0.0001
BFGS:   15 16:28:12      -22.135599        0.0000
BFGS:   16 16:28:12      -22.135599        0.0000
BFGS:   17 16:28:12      -22.135599        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.225253852552156e-09 eV/Angstrom
Maximum stress component: 9.818097784493949e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[1.50463286e-36 8.57493811e-01 2.50000000e-01]
 [3.67316799e-37 1.42506189e-01 7.50000000e-01]
 [5.00000000e-01 3.57493811e-01 2.50000000e-01]
 [5.00000000e-01 6.42506189e-01 7.50000000e-01]
 [3.53201180e-01 4.67589170e-01 2.50000000e-01]
 [6.46798820e-01 5.32410830e-01 7.50000000e-01]
 [6.46798820e-01 4.67589170e-01 2.50000000e-01]
 [3.53201180e-01 5.32410830e-01 7.50000000e-01]
 [8.53201180e-01 9.67589170e-01 2.50000000e-01]
 [1.46798820e-01 3.24108303e-02 7.50000000e-01]
 [1.46798820e-01 9.67589170e-01 2.50000000e-01]
 [8.53201180e-01 3.24108303e-02 7.50000000e-01]]
cellpar =  Cell([[9.823304862057128, -3.2173040835880365e-36, 0.0], [2.7840881974812363e-38, 3.7842064243887252, 0.0], [0.0, 0.0, 7.033799999999997]])
forces =  [[-1.21081581e-31  1.19146415e-09  0.00000000e+00]
 [ 2.42163161e-31 -1.19146415e-09  0.00000000e+00]
 [ 8.76575140e-48  1.19146415e-09  0.00000000e+00]
 [-8.76575140e-48 -1.19146415e-09  0.00000000e+00]
 [ 2.22525385e-09 -5.95732008e-10  0.00000000e+00]
 [-2.22525385e-09  5.95732008e-10  0.00000000e+00]
 [-2.22525385e-09 -5.95732008e-10  0.00000000e+00]
 [ 2.22525385e-09  5.95732008e-10  0.00000000e+00]
 [ 2.22525385e-09 -5.95732008e-10  0.00000000e+00]
 [-2.22525385e-09  5.95732008e-10  0.00000000e+00]
 [-2.22525385e-09 -5.95732008e-10  0.00000000e+00]
 [ 2.22525385e-09  5.95732008e-10  0.00000000e+00]]
stress =  [ 9.81809778e-11  7.59385233e-12  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -7.14038828e-49]
energy per atom =  -1.8446332326085637
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0