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 12:33:55       -6.171690         0.222325
BFGS:    1 12:33:55       -6.173651         0.189205
BFGS:    2 12:33:55       -6.178608         0.009945
BFGS:    3 12:33:55       -6.178621         0.000411
BFGS:    4 12:33:55       -6.178621         0.000001
BFGS:    5 12:33:55       -6.178621         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.666673086526611e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Y']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.761442153240563, -4.948068986721736e-39, -2.210279350312515e-33], [-6.669736919557881e-38, 3.761442153240563, -7.493942225298986e-19], [-4.081947192338641e-33, -7.493942225299007e-19, 3.761442153240563]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.66667309e-12 -2.66667309e-12 -2.66667309e-12 -1.18425482e-27
  1.45197933e-34  4.83612067e-50]
energy per atom =  -3.0893104851983977
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0