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_KimJungLee_2012_LiMg__MO_427397414195_002
==== 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 18:00:39       -3.041606        0.0041
BFGS:    1 18:00:39       -3.041607        0.0036
BFGS:    2 18:00:39       -3.041609        0.0000
BFGS:    3 18:00:39       -3.041609        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.892489756664828e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.574210083161514, 2.0373097489861907e-41, -2.665635739224187e-37], [-1.7129290808532294e-41, 3.574210083161514, -3.3432988075831265e-42], [-1.712929080850113e-41, -2.665614304598844e-37, 3.574210083161514]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.89248976e-10 -2.89248976e-10 -2.89248976e-10 -6.42276546e-26
 -2.51263314e-36 -2.78965594e-52]
energy per atom =  -1.5208045000502934
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0