element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
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:
['2.6513', '0.93471127']
model name:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:39:52       -4.099160        1.0906
BFGS:    1 14:39:52       -4.128363        0.2596
BFGS:    2 14:39:52       -4.129514        0.1280
BFGS:    3 14:39:52       -4.129821        0.0620
BFGS:    4 14:39:52       -4.130007        0.0449
BFGS:    5 14:39:52       -4.130063        0.0187
BFGS:    6 14:39:52       -4.130072        0.0034
BFGS:    7 14:39:52       -4.130072        0.0006
BFGS:    8 14:39:52       -4.130072        0.0000
BFGS:    9 14:39:52       -4.130072        0.0000
BFGS:   10 14:39:52       -4.130072        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.189898441202031e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.694171119790501, -1.5579957315497163e-17, -5.823842286101776e-37], [-1.3470855598952505, 2.3332206318809416, -1.1597564676183516e-35], [-1.724159447248631e-37, -2.1045447639535748e-35, 2.546676801281217]])
forces =  [[0. 0. 0.]]
stress =  [ 1.63938986e-10  1.63938986e-10  5.18989844e-10  5.16086943e-36
 -9.77440496e-36 -1.34728393e-26]
energy per atom =  -4.130072001953865
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0