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 14:38:35      -18.362543         0.572045
BFGS:    1 14:38:35      -18.376935         0.512039
BFGS:    2 14:38:35      -18.408467         0.191328
BFGS:    3 14:38:35      -18.410438         0.163499
BFGS:    4 14:38:35      -18.412656         0.104916
BFGS:    5 14:38:35      -18.412911         0.092009
BFGS:    6 14:38:35      -18.414389         0.049786
BFGS:    7 14:38:35      -18.414659         0.021469
BFGS:    8 14:38:35      -18.414699         0.002747
BFGS:    9 14:38:35      -18.414700         0.000382
BFGS:   10 14:38:35      -18.414700         0.000010
BFGS:   11 14:38:35      -18.414700         0.000001
BFGS:   12 14:38:35      -18.414700         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.329281691820009e-09 eV/Angstrom
Maximum stress component: 2.059301631476103e-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([[3.7787705701924352, 1.3989520257843132e-17, 8.448596674377768e-38], [-1.8893852850962176, 3.2725113088596562, 2.2984973463080893e-37], [-8.397771456696512e-36, -2.3327797101456385e-35, 6.363166959857076]])
forces =  [[ 6.21025911e-32  1.07564843e-31 -4.32928169e-09]
 [-4.34718138e-31  7.52953901e-31 -4.32928169e-09]
 [-3.10512955e-31  3.22694529e-31  4.32928169e-09]
 [ 6.21025911e-32 -1.07564843e-31  4.32928169e-09]]
stress =  [ 1.54527745e-10  1.54527745e-10 -2.05930163e-10  1.18384810e-33
  6.83495018e-34 -3.45789771e-26]
energy per atom =  -4.60367491589936
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0