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_MgNd__MO_059320827436_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 21:36:51       -5.692584         1.321869
BFGS:    1 21:36:51       -5.763942         1.198198
BFGS:    2 21:36:51       -5.920537         0.895582
BFGS:    3 21:36:52       -6.034290         0.626447
BFGS:    4 21:36:52       -6.109993         0.387771
BFGS:    5 21:36:52       -6.152005         0.176780
BFGS:    6 21:36:52       -6.164159         0.019455
BFGS:    7 21:36:52       -6.164319         0.001157
BFGS:    8 21:36:53       -6.164319         0.000008
BFGS:    9 21:36:53       -6.164319         0.000000
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