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_WilsonMendelev_2016_Mg__MO_574574915905_000
==== 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 15:17:26       -5.847326         0.690800
BFGS:    1 15:17:26       -5.867025         0.640949
BFGS:    2 15:17:26       -5.948447         0.461734
BFGS:    3 15:17:26       -6.008639         0.345029
BFGS:    4 15:17:26       -6.051991         0.230006
BFGS:    5 15:17:26       -6.076155         0.085995
BFGS:    6 15:17:26       -6.079288         0.018309
BFGS:    7 15:17:26       -6.079424         0.000969
BFGS:    8 15:17:26       -6.079424         0.000009
BFGS:    9 15:17:26       -6.079424         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3732192250576193e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.85734210e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.37146842e-33]]
cellpar =  Cell([[4.493705969077843, -1.15876055708941e-32, 1.019044651568527e-33], [-1.584197638437353e-33, 4.493705969077843, -3.2716344892087967e-17], [9.40936080779752e-33, -3.271634489208797e-17, 4.493705969077843]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.37321923e-10  2.37321923e-10  2.37321923e-10 -3.79001001e-26
  7.94785499e-37  1.20837201e-54]
energy per atom =  -1.5198560192767034
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0