element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5839']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.5839, 0, 0], [0, 4.5839, 0], [0, 0, 4.5839]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:32:24      -68.098914         1.973126
BFGS:    1 16:32:25      -68.262794         1.902478
BFGS:    2 16:32:25      -68.538465         1.772027
BFGS:    3 16:32:26      -68.794064         1.634809
BFGS:    4 16:32:26      -69.028557         1.490583
BFGS:    5 16:32:27      -69.240875         1.339097
BFGS:    6 16:32:28      -69.429910         1.180096
BFGS:    7 16:32:28      -69.594515         1.013312
BFGS:    8 16:32:29      -69.733501         0.838472
BFGS:    9 16:32:29      -69.845640         0.655294
BFGS:   10 16:32:30      -69.929658         0.463486
BFGS:   11 16:32:30      -69.984239         0.262746
BFGS:   12 16:32:31      -70.008020         0.052765
BFGS:   13 16:32:32      -70.008988         0.001490
BFGS:   14 16:32:32      -70.008989         0.000008
BFGS:   15 16:32:32      -70.008989         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.6950057077131133e-30 eV/Angstrom
Maximum stress component: 1.7035763450098903e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.17743780e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.41405558e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.358368875589357, 9.83250730838583e-33, 1.2661976390104047e-32], [9.139962856070959e-34, 4.358368875589357, -1.9368967599107543e-17], [9.063093686813175e-33, -1.9368967599107537e-17, 4.358368875589357]])
forces =  [[-6.26745513e-32  7.34187601e-31  2.40849347e-30]
 [ 6.56124209e-32 -5.55117455e-31  2.24509196e-30]
 [-2.05930669e-31  1.03860685e-30 -2.20256280e-30]
 [ 2.68605220e-32 -3.93954323e-31 -2.69500571e-30]
 [-3.22326264e-31  1.48628222e-30 -2.16674877e-30]
 [ 7.53143855e-31 -1.51761949e-30 -1.30721207e-30]
 [ 6.80466557e-31 -1.52321544e-30  2.21571327e-30]
 [-2.82035481e-31  1.39674714e-30  2.00782402e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.70357635e-10  1.70357635e-10  1.70357635e-10 -4.16695352e-28
 -4.32594737e-34 -6.17829815e-50]
energy per atom =  -5.834082394610745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0