element(s):
['Mg', 'Y']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8003']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Y']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.8003, 0, 0], [0, 3.8003, 0], [0, 0, 3.8003]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:21:10       -6.171690        0.2223
BFGS:    1 15:21:10       -6.173651        0.1892
BFGS:    2 15:21:10       -6.178608        0.0099
BFGS:    3 15:21:10       -6.178621        0.0004
BFGS:    4 15:21:10       -6.178621        0.0000
BFGS:    5 15:21:10       -6.178621        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6664276153418378e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Y']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.761442153240564, -2.1844014245920908e-33, -1.13966022947476e-33], [-3.276201958395217e-33, 3.761442153240564, 3.0871838165305212e-24], [-1.6363471195067857e-33, 3.0871838144880653e-24, 3.761442153240564]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.66642762e-12 -2.66642762e-12 -2.66642762e-12 -2.14435210e-28
  8.56927481e-61  7.42308142e-62]
energy per atom =  -3.089310485198401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0