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_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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 15:31:56      -18.346405        0.6735
BFGS:    1 15:31:56      -18.353224        0.5538
BFGS:    2 15:31:56      -18.365600        0.1417
BFGS:    3 15:31:56      -18.366860        0.1085
BFGS:    4 15:31:56      -18.367900        0.0412
BFGS:    5 15:31:56      -18.367961        0.0389
BFGS:    6 15:31:56      -18.368100        0.0242
BFGS:    7 15:31:56      -18.368170        0.0158
BFGS:    8 15:31:56      -18.368199        0.0054
BFGS:    9 15:31:56      -18.368201        0.0007
BFGS:   10 15:31:56      -18.368201        0.0001
BFGS:   11 15:31:56      -18.368201        0.0000
BFGS:   12 15:31:56      -18.368201        0.0000
BFGS:   13 15:31:56      -18.368201        0.0000
Minimization converged after 13 steps.
Maximum force component: 6.459285359187996e-10 eV/Angstrom
Maximum stress component: 1.6318485369488674e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.56295681]
 [0.66666666 0.33333334 0.06295681]
 [0.66666666 0.33333334 0.43704319]
 [0.33333333 0.66666667 0.93704319]]
cellpar =  Cell([[3.8489875207781847, -1.0551564197852102e-18, -4.930005254982429e-38], [-1.9244937603890924, 3.3333209718431926, -9.342821155172212e-38], [1.9897457946574613e-36, 1.5578027337367124e-36, 6.26001209917405]])
forces =  [[-1.58141447e-31  3.83472629e-31 -6.45928536e-10]
 [ 4.90238485e-31  2.73909021e-32 -6.45928536e-10]
 [ 1.58141447e-31 -3.83472629e-31  6.45928536e-10]
 [-4.94192021e-31 -2.05431766e-32  6.45928536e-10]]
stress =  [-1.13987102e-11 -1.13987102e-11 -1.63184854e-11 -1.96900536e-34
  3.41041732e-34 -1.01718821e-27]
energy per atom =  -4.592050255146759
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0