element(s):
['Mg']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5733']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:00:09       -2.941379        0.0248
BFGS:    1 18:00:09       -2.941403        0.0221
BFGS:    2 18:00:09       -2.941501        0.0002
BFGS:    3 18:00:09       -2.941501        0.0000
BFGS:    4 18:00:09       -2.941501        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.353593152207238e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.579197665122659, -7.713735324377259e-40, 1.4794057293507931e-32], [-6.344224413143484e-45, 3.579197665122659, -1.1572394507495377e-20], [1.9255729829539558e-32, -1.1572394507486192e-20, 3.579197665122659]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.35359315e-12 -5.35359315e-12 -5.35359315e-12  1.48715157e-34
 -4.00901657e-35 -4.45090269e-51]
energy per atom =  -1.4707503979731629
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0