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 20:29:28       -3.018989         0.034088
BFGS:    1 20:29:28       -3.019034         0.030243
BFGS:    2 20:29:28       -3.019196         0.000965
BFGS:    3 20:29:28       -3.019196         0.001228
BFGS:    4 20:29:28       -3.019196         0.001295
BFGS:    5 20:29:28       -3.019196         0.001082
BFGS:    6 20:29:28       -3.019196         0.000553
BFGS:    7 20:29:28       -3.019196         0.000137
BFGS:    8 20:29:28       -3.019196         0.000023
BFGS:    9 20:29:28       -3.019196         0.000002
BFGS:   10 20:29:28       -3.019196         0.000000
BFGS:   11 20:29:28       -3.019196         0.000000
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