element(s):
['Mg']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2446']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_Mg__MO_137404467969_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:14       -5.753952        1.3002
BFGS:    1 17:03:14       -5.822714        1.1692
BFGS:    2 17:03:14       -5.973592        0.8505
BFGS:    3 17:03:14       -6.080119        0.5771
BFGS:    4 17:03:14       -6.148756        0.3467
BFGS:    5 17:03:14       -6.185900        0.1522
BFGS:    6 17:03:14       -6.195606        0.0153
BFGS:    7 17:03:14       -6.195535        0.0015
BFGS:    8 17:03:14       -6.195536        0.0001
BFGS:    9 17:03:14       -6.195536        0.0000
BFGS:   10 17:03:14       -6.195536        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.384809210245101e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.523206249508072, -2.2325857876034007e-32, -1.5088849406855697e-32], [-3.559431047049391e-32, 4.523206249508072, 1.5634714329053905e-17], [-2.6626668671005487e-32, 1.5634714329053887e-17, 4.523206249508072]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.38480921e-14 -5.38480921e-14 -5.38480921e-14 -1.51393017e-30
  2.35335645e-35 -7.52870456e-52]
energy per atom =  -1.548884014683405
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0