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_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_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 17:00:40       -2.941508         0.043356
BFGS:    1 17:00:40       -2.941584         0.038621
BFGS:    2 17:00:40       -2.941873         0.000632
BFGS:    3 17:00:40       -2.941873         0.000009
BFGS:    4 17:00:40       -2.941873         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.040761571773834e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5633113508397933, -1.8469129392443353e-32, -1.7142077599894978e-33], [-1.716609896533094e-32, 3.5633113508397933, -3.2393217663713033e-21], [4.52748924881975e-34, -3.23932176637303e-21, 3.5633113508397933]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.04076157e-11  9.04076157e-11  9.04076157e-11  7.78824541e-28
 -6.06726459e-35 -8.01216437e-52]
energy per atom =  -1.4709366549334415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0