element(s):
['Mg']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2446']
model name:
MEAM_LAMMPS_KimLee_2017_MgPb__MO_325675357262_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:04:52       -5.692584        1.3219
BFGS:    1 17:04:52       -5.763942        1.1982
BFGS:    2 17:04:52       -5.920537        0.8956
BFGS:    3 17:04:52       -6.034290        0.6264
BFGS:    4 17:04:52       -6.109993        0.3878
BFGS:    5 17:04:52       -6.152005        0.1768
BFGS:    6 17:04:52       -6.164159        0.0195
BFGS:    7 17:04:52       -6.164319        0.0012
BFGS:    8 17:04:52       -6.164319        0.0000
BFGS:    9 17:04:52       -6.164319        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6412921006808356e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.527170421680757, -1.817111593272105e-33, 3.929248861853366e-34], [-1.649586646207719e-32, 4.527170421680757, -1.1971606506977967e-17], [-1.9897069016292386e-34, -1.1971606506977967e-17, 4.527170421680757]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.64129210e-10 -1.64129210e-10 -1.64129210e-10 -7.87853646e-29
  2.20240956e-37 -5.27818720e-55]
energy per atom =  -1.5410798567682682
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0