element(s):
['Mg']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1895', '1.6237655']
model name:
MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1895, 0, 0], [-1.59475, 2.7621880253705, 0], [0, 0, 5.179]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:00:17       -3.018989        0.0341
BFGS:    1 15:00:17       -3.019034        0.0302
BFGS:    2 15:00:17       -3.019196        0.0010
BFGS:    3 15:00:17       -3.019196        0.0012
BFGS:    4 15:00:17       -3.019196        0.0013
BFGS:    5 15:00:17       -3.019196        0.0011
BFGS:    6 15:00:17       -3.019196        0.0006
BFGS:    7 15:00:17       -3.019196        0.0001
BFGS:    8 15:00:17       -3.019196        0.0000
BFGS:    9 15:00:17       -3.019196        0.0000
BFGS:   10 15:00:17       -3.019196        0.0000
BFGS:   11 15:00:17       -3.019196        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.1492066736179494e-32 eV/Angstrom
Maximum stress component: 9.657055839404923e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.1966190363752167, 1.8875154281547534e-19, 3.0162459260099565e-39], [-1.5983095181876084, 2.7683532917218687, 1.876199379748967e-39], [-3.6579608665294097e-42, 2.378566271538959e-38, 5.188180178297122]])
forces =  [[-1.14920667e-32  8.53064720e-33  1.06582097e-32]
 [ 1.14920667e-32 -8.53064720e-33 -1.06582097e-32]]
stress =  [-9.65705584e-11 -9.65705584e-11 -9.29147223e-11 -7.15159069e-35
 -4.49210012e-49  8.22728513e-27]
energy per atom =  -1.5095979776345974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0