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:
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mg__MO_894868634445_000
==== 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 10:55:13       -3.099224         0.079829
BFGS:    1 10:55:13       -3.099392         0.071482
BFGS:    2 10:55:13       -3.099985         0.006939
BFGS:    3 10:55:13       -3.099986         0.004892
BFGS:    4 10:55:13       -3.099987         0.004109
BFGS:    5 10:55:13       -3.099990         0.003909
BFGS:    6 10:55:13       -3.099992         0.002289
BFGS:    7 10:55:13       -3.099993         0.000837
BFGS:    8 10:55:13       -3.099993         0.000169
BFGS:    9 10:55:13       -3.099993         0.000009
BFGS:   10 10:55:14       -3.099993         0.000001
BFGS:   11 10:55:14       -3.099993         0.000000
BFGS:   12 10:55:14       -3.099993         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.1407758918591973e-32 eV/Angstrom
Maximum stress component: 9.480687655055714e-12 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([[3.199308180213974, 2.6456896950481147e-18, 2.997343117967784e-39], [-1.599654090106987, 2.7706821586006636, -6.288415570664517e-39], [-4.409429074040833e-37, -1.6800098530458795e-36, 5.210411220997314]])
forces =  [[-1.84849303e-33  3.55742649e-34  2.14077589e-32]
 [ 1.84849303e-33 -3.55742649e-34 -2.14077589e-32]]
stress =  [-1.84146044e-12 -1.84146044e-12 -9.48068766e-12 -2.51867278e-48
 -8.08091577e-49 -6.53638134e-28]
energy per atom =  -1.549996488255367
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0