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_KimLee_2017_MgNd__MO_059320827436_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 15:00:16       -3.097327        0.0912
BFGS:    1 15:00:16       -3.097623        0.0807
BFGS:    2 15:00:16       -3.098674        0.0054
BFGS:    3 15:00:16       -3.098676        0.0070
BFGS:    4 15:00:16       -3.098678        0.0074
BFGS:    5 15:00:16       -3.098682        0.0063
BFGS:    6 15:00:16       -3.098684        0.0034
BFGS:    7 15:00:16       -3.098686        0.0009
BFGS:    8 15:00:16       -3.098686        0.0002
BFGS:    9 15:00:16       -3.098686        0.0000
BFGS:   10 15:00:16       -3.098686        0.0000
BFGS:   11 15:00:16       -3.098686        0.0000
BFGS:   12 15:00:16       -3.098686        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.1352289338179354e-32 eV/Angstrom
Maximum stress component: 1.0683753052364563e-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([[3.2090649902900927, -2.348529329629981e-18, -8.376017929776248e-38], [-1.6045324951450464, 2.7791318039864814, 6.664860970554349e-38], [-7.669129940833023e-36, -1.8609444146974818e-36, 5.1969105399916575]])
forces =  [[ 8.24057914e-33 -2.85462035e-33  2.13522893e-32]
 [-8.24057914e-33  2.85462035e-33 -2.13522893e-32]]
stress =  [-1.06837531e-11 -1.06837531e-11 -7.44221936e-13  7.11188669e-34
 -2.23875501e-47 -2.06619132e-27]
energy per atom =  -1.5493428501944033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0