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:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
==== 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 15:17:39       -5.593814         1.215847
BFGS:    1 15:17:39       -5.654359         1.108705
BFGS:    2 15:17:39       -5.798833         0.823125
BFGS:    3 15:17:39       -5.902873         0.569080
BFGS:    4 15:17:39       -5.970992         0.343736
BFGS:    5 15:17:39       -6.007298         0.144493
BFGS:    6 15:17:39       -6.015862         0.014964
BFGS:    7 15:17:39       -6.015961         0.000764
BFGS:    8 15:17:39       -6.015961         0.000004
BFGS:    9 15:17:39       -6.015961         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.987133890285273e-11 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.40991378e-34]]
cellpar =  Cell([[4.518424959701462, 1.2921324066605976e-33, -7.122750507850133e-33], [1.5193438787007918e-32, 4.518424959701462, 2.31105534303983e-17], [1.9757312059695063e-32, 2.3110553430398277e-17, 4.518424959701462]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.98713389e-11 -5.98713389e-11 -5.98713389e-11  1.80233981e-26
  3.78278595e-37 -3.34973188e-53]
energy per atom =  -1.5039902748350396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0