element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
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 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:57:02       -7.496840         0.205787
BFGS:    1 12:57:02       -7.497921         0.155236
BFGS:    2 12:57:02       -7.499018         0.200622
BFGS:    3 12:57:02       -7.499404         0.136199
BFGS:    4 12:57:02       -7.500063         0.055558
BFGS:    5 12:57:03       -7.500807         0.054365
BFGS:    6 12:57:03       -7.501001         0.021971
BFGS:    7 12:57:03       -7.501019         0.005450
BFGS:    8 12:57:03       -7.501020         0.000613
BFGS:    9 12:57:03       -7.501020         0.000019
BFGS:   10 12:57:03       -7.501020         0.000001
BFGS:   11 12:57:03       -7.501020         0.000000
Minimization converged after 11 steps.
Maximum force component: 9.453319394496504e-33 eV/Angstrom
Maximum stress component: 2.6132793301373175e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.6567732803512163, 1.1460582412865505e-17, -3.2181934187558942e-37], [-1.3283866401756081, 2.30083315287987, -1.0472782073062154e-36], [-8.975417874197094e-37, 1.4192948042060162e-36, 4.644905991698877]])
forces =  [[ 5.45787650e-33  9.45331939e-33 -5.96384236e-34]
 [-5.45787650e-33 -9.45331939e-33 -2.98192118e-34]]
stress =  [-1.57361488e-10 -1.57361488e-10 -2.61327933e-10  1.03367221e-33
 -2.07275520e-34  7.01692188e-26]
energy per atom =  -3.750509796758798
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0