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_2004NISTretabulation_Mg__MO_894868634445_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 16:24:08       -5.753951         1.300104
BFGS:    1 16:24:08       -5.822710         1.169167
BFGS:    2 16:24:08       -5.973590         0.850512
BFGS:    3 16:24:08       -6.080117         0.576965
BFGS:    4 16:24:08       -6.148755         0.346641
BFGS:    5 16:24:08       -6.185900         0.152235
BFGS:    6 16:24:08       -6.195606         0.015283
BFGS:    7 16:24:08       -6.195535         0.001478
BFGS:    8 16:24:09       -6.195536         0.000063
BFGS:    9 16:24:09       -6.195536         0.000000
BFGS:   10 16:24:09       -6.195536         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.336796869503402e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.02541525e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.5231990252474485, 2.6274347996237322e-33, -1.9462159103990415e-33], [7.362255679500029e-33, 4.5231990252474485, -1.944624554815925e-17], [8.99514349339416e-34, -1.944624554815925e-17, 4.5231990252474485]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.33679687e-14 -4.33679687e-14 -4.33679687e-14  2.56002079e-30
  7.84454655e-37 -3.50944267e-53]
energy per atom =  -1.5488839052053553
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0