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 15:11:38      -12.605032        11.184304
BFGS:    1 15:11:38      -14.076168         9.517128
BFGS:    2 15:11:38      -15.069961         7.972825
BFGS:    3 15:11:38      -15.852722         6.470295
BFGS:    4 15:11:38      -16.451246         4.980915
BFGS:    5 15:11:38      -16.890754         3.641905
BFGS:    6 15:11:38      -17.192287         2.371617
BFGS:    7 15:11:38      -17.370588         1.224845
BFGS:    8 15:11:38      -17.441583         0.227732
BFGS:    9 15:11:38      -17.444530         0.025646
BFGS:   10 15:11:38      -17.444576         0.015818
BFGS:   11 15:11:38      -17.444580         0.013955
BFGS:   12 15:11:38      -17.444608         0.014069
BFGS:   13 15:11:38      -17.444622         0.013847
BFGS:   14 15:11:38      -17.444630         0.006257
BFGS:   15 15:11:38      -17.444631         0.001347
BFGS:   16 15:11:38      -17.444631         0.000115
BFGS:   17 15:11:38      -17.444631         0.000016
BFGS:   18 15:11:38      -17.444631         0.000002
BFGS:   19 15:11:38      -17.444631         0.000000
BFGS:   20 15:11:38      -17.444631         0.000000
Minimization converged after 20 steps.
Maximum force component: 4.562188474221962e-09 eV/Angstrom
Maximum stress component: 5.28323659807185e-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, -3.1746716786121884e-35, 6.413996816394645e-32], [-1.4491255748726287e-34, 2.743618624131587, -8.312653921821194e-18], [2.674529771101871e-32, -2.0061685812822384e-17, 5.711717261820623]])
forces =  [[-8.45442764e-33  1.60241280e-26 -4.56218847e-09]
 [-2.11360690e-32 -1.60241449e-26  4.56218847e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [5.28323660e-10 5.28323660e-10 1.13725550e-10 9.14816631e-26
 2.51698133e-32 2.02467817e-47]
energy per atom =  -5.814877125584801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0