element(s):
['Mg']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1895', '1.6237655']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1895, 0, 0], [-1.59475, 2.7621880253705, 0], [0, 0, 5.179]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:51       -3.019700         0.055615
BFGS:    1 15:02:51       -3.019808         0.049688
BFGS:    2 15:02:51       -3.020219         0.005444
BFGS:    3 15:02:51       -3.020220         0.006016
BFGS:    4 15:02:51       -3.020222         0.006410
BFGS:    5 15:02:51       -3.020225         0.005213
BFGS:    6 15:02:51       -3.020228         0.002336
BFGS:    7 15:02:52       -3.020229         0.000628
BFGS:    8 15:02:52       -3.020229         0.000079
BFGS:    9 15:02:52       -3.020229         0.000008
BFGS:   10 15:02:52       -3.020229         0.000000
BFGS:   11 15:02:52       -3.020229         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2956978415549916e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.202790302350505, -4.721206813624647e-18, -5.598083839964387e-39], [-1.6013951511752524, 2.7736977648299814, -1.7375929022452218e-38], [2.8487430722754346e-38, -1.095117898477354e-37, 5.187316884031947]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.29569784e-10 -3.29569784e-10 -2.58169441e-10  5.35424896e-35
 -3.09127708e-35  8.78954398e-26]
energy per atom =  -1.51011430281041
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0