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_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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 15:31:51       -3.880975         4.777479
BFGS:    1 15:31:51       -4.201729         1.199435
BFGS:    2 15:31:51       -4.230164         0.390830
BFGS:    3 15:31:51       -4.232926         0.056086
BFGS:    4 15:31:51       -4.232971         0.004715
BFGS:    5 15:31:51       -4.232971         0.000326
BFGS:    6 15:31:51       -4.232971         0.000030
BFGS:    7 15:31:51       -4.232971         0.000001
BFGS:    8 15:31:51       -4.232971         0.000000
BFGS:    9 15:31:51       -4.232971         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.530949405614315e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.8041636670819488, -2.9321160313270324e-17, 1.5008170718846503e-36], [-1.4020818335409744, 2.428476972062297, -1.0174362793889314e-38], [5.746484836753149e-36, -1.6763867603046833e-36, 2.665801616975611]])
forces =  [[0. 0. 0.]]
stress =  [-4.88070709e-12 -4.88070709e-12  4.53094941e-11 -1.26671625e-46
 -5.17619646e-47 -2.38807698e-27]
energy per atom =  -4.232970799681931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0