element(s):
['Mg', 'Si']
AFLOW prototype label:
A2B_hP6_194_ac_d
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:
['4.6422', '1.3036707']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[4.6422, 0, 0], [-2.3211, 4.0202631294481, 0], [0, 0, 6.0519]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:24      -15.000096         1.130747
BFGS:    1 15:37:24      -15.036952         1.054394
BFGS:    2 15:37:24      -15.134276         0.829280
BFGS:    3 15:37:24      -15.207980         0.620041
BFGS:    4 15:37:24      -15.260042         0.426026
BFGS:    5 15:37:24      -15.292479         0.246792
BFGS:    6 15:37:24      -15.307583         0.260976
BFGS:    7 15:37:24      -15.310245         0.291094
BFGS:    8 15:37:24      -15.312429         0.299989
BFGS:    9 15:37:24      -15.319536         0.294253
BFGS:   10 15:37:24      -15.328043         0.249171
BFGS:   11 15:37:24      -15.335636         0.178125
BFGS:   12 15:37:24      -15.341776         0.081482
BFGS:   13 15:37:24      -15.344229         0.021929
BFGS:   14 15:37:24      -15.344446         0.004325
BFGS:   15 15:37:25      -15.344463         0.000191
BFGS:   16 15:37:25      -15.344463         0.000005
BFGS:   17 15:37:25      -15.344463         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.019126861740097e-31 eV/Angstrom
Maximum stress component: 2.334379825293229e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Si', 'Si']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666667 0.33333333 0.25      ]]
cellpar =  Cell([[4.914330966185809, 2.6860871469401965e-17, -2.2060288051612516e-37], [-2.4571654830929046, 4.255935459321436, 2.4791506964442358e-36], [-2.9283442837754914e-37, -6.084700546211545e-36, 5.894569105012034]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.51434515e-32 -2.62292273e-32 -1.52789458e-68]
 [-1.16099795e-31  1.31146137e-31  3.02734057e-33]
 [-2.01912686e-31  6.99446062e-32  6.05468115e-33]
 [ 2.01912686e-31 -6.99446062e-32 -6.05468115e-33]]
stress =  [-2.33437983e-10 -2.33437983e-10 -8.94080815e-12 -6.14162614e-35
  1.06376085e-34 -3.37863537e-26]
energy per atom =  -2.5574104665838697
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0