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:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
==== 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 16:13:56       -2.941379         0.024772
BFGS:    1 16:13:56       -2.941403         0.022094
BFGS:    2 16:13:56       -2.941501         0.000200
BFGS:    3 16:13:56       -2.941501         0.000002
BFGS:    4 16:13:56       -2.941501         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.353690355777472e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5791976651226864, 9.176975195615672e-33, 3.0335761816538436e-33], [1.0331043627516472e-32, 3.5791976651226864, -6.514727062105523e-21], [1.0056816150012232e-33, -6.514727062102079e-21, 3.5791976651226864]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.35369036e-12 -5.35369036e-12 -5.35369036e-12  4.22205856e-30
 -2.00450828e-35  4.37127401e-52]
energy per atom =  -1.4707503979731644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0