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 10:52:23       -3.019700         0.055615
BFGS:    1 10:52:23       -3.019808         0.049688
BFGS:    2 10:52:24       -3.020219         0.005444
BFGS:    3 10:52:25       -3.020220         0.006016
BFGS:    4 10:52:25       -3.020222         0.006410
BFGS:    5 10:52:26       -3.020225         0.005213
BFGS:    6 10:52:27       -3.020228         0.002336
BFGS:    7 10:52:27       -3.020229         0.000628
BFGS:    8 10:52:27       -3.020229         0.000079
BFGS:    9 10:52:28       -3.020229         0.000008
BFGS:   10 10:52:29       -3.020229         0.000000
BFGS:   11 10:52:29       -3.020229         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.0656436179181461e-32 eV/Angstrom
Maximum stress component: 3.295697995861535e-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, -4.620973884905127e-18, 9.33331204183955e-40], [-1.6013951511752524, 2.7736977648299805, 2.0224142148758442e-38], [2.7303480617546674e-38, -7.672981645098e-37, 5.187316884031948]])
forces =  [[-3.59820402e-33  4.80775282e-33  1.06564362e-32]
 [ 7.19640804e-34  1.78064919e-34 -1.06564362e-32]]
stress =  [-3.29569800e-10 -3.29569800e-10 -2.58169394e-10  5.71119890e-34
  6.59291438e-47  9.05891324e-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