element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI12_122_d_a
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:
['5.0585', '1.4508649', '0.91281159']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.91281159 0.25       0.125     ]
 [0.         0.         0.        ]]
spacegroup =  122
cell =  [[5.0585, 0, 0], [0, 5.0585, 0], [0, 0, 7.3392]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:06:42      -80.299984         0.434086
BFGS:    1 17:06:42      -80.313872         0.392495
BFGS:    2 17:06:42      -80.344059         0.201345
BFGS:    3 17:06:42      -80.344920         0.195038
BFGS:    4 17:06:42      -80.355121         0.132778
BFGS:    5 17:06:42      -80.361750         0.080406
BFGS:    6 17:06:42      -80.364864         0.058203
BFGS:    7 17:06:42      -80.365127         0.057266
BFGS:    8 17:06:42      -80.365295         0.054455
BFGS:    9 17:06:42      -80.366257         0.039081
BFGS:   10 17:06:42      -80.367781         0.059391
BFGS:   11 17:06:42      -80.370607         0.074345
BFGS:   12 17:06:42      -80.373452         0.060233
BFGS:   13 17:06:42      -80.374880         0.025238
BFGS:   14 17:06:42      -80.375152         0.004731
BFGS:   15 17:06:42      -80.375168         0.000321
BFGS:   16 17:06:42      -80.375168         0.000051
BFGS:   17 17:06:42      -80.375168         0.000010
BFGS:   18 17:06:42      -80.375168         0.000001
BFGS:   19 17:06:42      -80.375168         0.000000
BFGS:   20 17:06:42      -80.375168         0.000000
BFGS:   21 17:06:42      -80.375168         0.000000
Minimization converged after 21 steps.
Maximum force component: 6.611093174638263e-10 eV/Angstrom
Maximum stress component: 4.172693632688045e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.09633721e-01 2.50000000e-01 1.25000000e-01]
 [9.03662791e-02 7.50000000e-01 1.25000000e-01]
 [2.50000000e-01 9.03662791e-02 8.75000000e-01]
 [7.50000000e-01 9.09633721e-01 8.75000000e-01]
 [5.90366279e-01 2.50000000e-01 6.25000000e-01]
 [4.09633721e-01 7.50000000e-01 6.25000000e-01]
 [7.50000000e-01 5.90366279e-01 3.75000000e-01]
 [2.50000000e-01 4.09633721e-01 3.75000000e-01]
 [7.68945065e-34 5.39251457e-33 5.39320606e-33]
 [5.00000000e-01 5.39456478e-33 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.028863300030358, 5.929755422002736e-37, 1.9144074342489793e-40], [1.9198159508029534e-37, 5.0288633000303555, -1.742469734956491e-20], [-4.475963762512753e-51, -2.5172223746081603e-20, 7.562236790025262]])
forces =  [[-6.61109317e-10  4.95884207e-31 -5.59270590e-31]
 [ 6.61109317e-10  3.02179439e-31  4.66058825e-32]
 [ 1.85956578e-31  6.61109317e-10 -2.57033780e-30]
 [-2.52384711e-47 -6.61109317e-10  1.17216133e-30]
 [ 6.61109317e-10  4.95884207e-31  1.86423530e-31]
 [-6.61109317e-10  4.02905918e-31 -5.59270590e-31]
 [-7.43826310e-31  6.61109317e-10 -2.57033780e-30]
 [-4.95884207e-31 -6.61109317e-10  2.66354957e-30]
 [-3.09927629e-32 -3.65449393e-69 -1.17984467e-72]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.36635586e-69  6.19855259e-32 -2.14775977e-52]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.17269363e-11 -4.17269363e-11 -2.39768924e-11 -2.60577216e-30
 -2.59292732e-33 -2.81655191e-52]
energy per atom =  -6.697930649329543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0