element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP3_123_h_a
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4116', '2.3361254', '0.80662489']
model name:
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.5        0.5        0.80662489]
 [0.         0.         0.        ]]
spacegroup =  123
cell =  [[2.4116, 0, 0], [0, 2.4116, 0], [0, 0, 5.6338]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:25:32      -12.605032        11.184304
BFGS:    1 17:25:32      -14.076168         9.517128
BFGS:    2 17:25:32      -15.069961         7.972825
BFGS:    3 17:25:32      -15.852722         6.470295
BFGS:    4 17:25:32      -16.451246         4.980915
BFGS:    5 17:25:32      -16.890754         3.641905
BFGS:    6 17:25:32      -17.192287         2.371617
BFGS:    7 17:25:32      -17.370588         1.224845
BFGS:    8 17:25:32      -17.441583         0.227732
BFGS:    9 17:25:32      -17.444530         0.025646
BFGS:   10 17:25:32      -17.444576         0.015818
BFGS:   11 17:25:32      -17.444580         0.013955
BFGS:   12 17:25:32      -17.444608         0.014069
BFGS:   13 17:25:32      -17.444622         0.013847
BFGS:   14 17:25:32      -17.444630         0.006257
BFGS:   15 17:25:32      -17.444631         0.001347
BFGS:   16 17:25:33      -17.444631         0.000115
BFGS:   17 17:25:33      -17.444631         0.000016
BFGS:   18 17:25:33      -17.444631         0.000002
BFGS:   19 17:25:33      -17.444631         0.000000
BFGS:   20 17:25:33      -17.444631         0.000000
Minimization converged after 20 steps.
Maximum force component: 4.562143857134155e-09 eV/Angstrom
Maximum stress component: 5.283236635393232e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Si']
basis =  [[0.5        0.5        0.79660368]
 [0.5        0.5        0.20339632]
 [0.         0.         0.        ]]
cellpar =  Cell([[2.743618624131587, -3.753975841243425e-35, -1.7345777321321848e-32], [1.1011104393349342e-34, 2.743618624131587, 4.1392300020840645e-18], [4.5768892408975174e-33, 9.899065403237541e-18, 5.711717261820626]])
forces =  [[ 6.76354210e-32 -7.90675580e-27 -4.56214386e-09]
 [ 7.60898486e-32  7.90677271e-27  4.56214386e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.28323664e-10  5.28323664e-10  1.13727383e-10  1.71373106e-25
 -2.83927154e-44 -4.19883371e-59]
energy per atom =  -5.814877125584824
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0