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 14:02:26       -3.099224         0.079829
BFGS:    1 14:02:26       -3.099392         0.071482
BFGS:    2 14:02:26       -3.099985         0.006939
BFGS:    3 14:02:26       -3.099986         0.004892
BFGS:    4 14:02:26       -3.099987         0.004109
BFGS:    5 14:02:26       -3.099990         0.003909
BFGS:    6 14:02:26       -3.099992         0.002289
BFGS:    7 14:02:26       -3.099993         0.000837
BFGS:    8 14:02:26       -3.099993         0.000169
BFGS:    9 14:02:26       -3.099993         0.000009
BFGS:   10 14:02:26       -3.099993         0.000001
BFGS:   11 14:02:26       -3.099993         0.000000
BFGS:   12 14:02:26       -3.099993         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.6899246620599915e-34 eV/Angstrom
Maximum stress component: 9.480875150209726e-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([[3.1993081802139707, 2.5715940537604282e-18, -7.203324514798804e-37], [-1.5996540901069853, 2.7706821586006627, -1.0848631367002361e-36], [1.2230559621668501e-36, -2.1244002878285632e-36, 5.210411220997314]])
forces =  [[ 1.57034673e-70 -2.72763075e-70  6.68992466e-34]
 [-1.57034673e-70  2.72763075e-70 -6.68992466e-34]]
stress =  [-1.84179769e-12 -1.84179769e-12 -9.48087515e-12 -5.33631882e-34
  1.94287821e-47 -2.25496336e-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