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_LiuAdams_1998_AlMg__MO_019873715786_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 16:24:06       -5.578335         1.323614
BFGS:    1 16:24:06       -5.648915         1.166751
BFGS:    2 16:24:06       -5.795723         0.802195
BFGS:    3 16:24:06       -5.892853         0.504134
BFGS:    4 16:24:06       -5.950164         0.270219
BFGS:    5 16:24:06       -5.976814         0.091624
BFGS:    6 16:24:07       -5.980564         0.005334
BFGS:    7 16:24:07       -5.980576         0.000130
BFGS:    8 16:24:07       -5.980576         0.000000
BFGS:    9 16:24:07       -5.980576         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.922229276795043e-11 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([[4.505757462407845, -1.4776573673464123e-33, 1.192059202531101e-33], [3.176659797488025e-35, 4.505757462407845, 2.427999019564279e-17], [2.0789859625309865e-33, 2.427999019564278e-17, 4.505757462407845]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.92222928e-11 -6.92222928e-11 -6.92222928e-11 -1.09248272e-26
  5.53377706e-36  6.21091751e-52]
energy per atom =  -1.4951440712059905
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0