element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:31:55      -18.362543        0.5720
BFGS:    1 15:31:55      -18.376935        0.5120
BFGS:    2 15:31:55      -18.408467        0.1913
BFGS:    3 15:31:55      -18.410438        0.1635
BFGS:    4 15:31:55      -18.412656        0.1049
BFGS:    5 15:31:55      -18.412911        0.0920
BFGS:    6 15:31:55      -18.414389        0.0498
BFGS:    7 15:31:55      -18.414659        0.0215
BFGS:    8 15:31:55      -18.414699        0.0027
BFGS:    9 15:31:55      -18.414700        0.0004
BFGS:   10 15:31:55      -18.414700        0.0000
BFGS:   11 15:31:55      -18.414700        0.0000
BFGS:   12 15:31:55      -18.414700        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.329313779000143e-09 eV/Angstrom
Maximum stress component: 2.0593103080288437e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.56609878]
 [0.66666666 0.33333334 0.06609878]
 [0.66666666 0.33333334 0.43390122]
 [0.33333333 0.66666667 0.93390122]]
cellpar =  Cell([[3.7787705701924343, 1.5340419782369064e-17, 4.172340022584955e-39], [-1.8893852850962172, 3.2725113088596562, -4.305479509668159e-38], [-1.9749571917765877e-37, -7.0574112242651354e-37, 6.363166959857077]])
forces =  [[-6.21025911e-32  1.07564843e-31 -4.32931378e-09]
 [-9.31538866e-32  1.61347265e-31 -4.32931378e-09]
 [-3.10512955e-31  1.07564843e-31  4.32931378e-09]
 [ 9.31538866e-32 -1.61347265e-31  4.32931378e-09]]
stress =  [ 1.54527981e-10  1.54527981e-10 -2.05931031e-10 -7.48160100e-48
  2.73398007e-33  3.87196715e-26]
energy per atom =  -4.603674915899358
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0