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_JangKimLee_2018_ZnMg__MO_474962707676_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 17:59:51       -3.041606        0.0041
BFGS:    1 17:59:51       -3.041607        0.0036
BFGS:    2 17:59:51       -3.041609        0.0000
BFGS:    3 17:59:51       -3.041609        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9050310600263607e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5742100930590994, -2.712449540322723e-33, -2.2967699912293023e-36], [2.299335216560635e-33, 3.5742100930590994, -2.596034475870901e-22], [3.721195659746726e-33, -2.596034475894971e-22, 3.5742100930590994]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.90503106e-10 -2.90503106e-10 -2.90503106e-10 -5.58355994e-26
 -5.02526626e-36  7.32682336e-52]
energy per atom =  -1.5208044966164753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0