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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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 15:18:22       -5.593814         1.215847
BFGS:    1 15:18:22       -5.654359         1.108705
BFGS:    2 15:18:23       -5.798833         0.823125
BFGS:    3 15:18:23       -5.902873         0.569080
BFGS:    4 15:18:23       -5.970992         0.343736
BFGS:    5 15:18:23       -6.007298         0.144493
BFGS:    6 15:18:23       -6.015862         0.014964
BFGS:    7 15:18:23       -6.015961         0.000764
BFGS:    8 15:18:23       -6.015961         0.000004
BFGS:    9 15:18:23       -6.015961         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.987131276230156e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.54291775e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.81982757e-34]]
cellpar =  Cell([[4.518424959701462, -9.747898156755588e-33, -2.113877028647638e-33], [-8.7017786792436e-33, 4.518424959701462, -2.190118114221742e-17], [1.5031324748780058e-33, -2.190118114221742e-17, 4.518424959701462]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.98713128e-11 -5.98713128e-11 -5.98713128e-11  9.61068929e-28
  2.40274037e-60  3.17567788e-59]
energy per atom =  -1.5039902748350407
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0