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 22:54:06      -15.000096        1.1307
BFGS:    1 22:54:06      -15.036952        1.0544
BFGS:    2 22:54:06      -15.134276        0.8293
BFGS:    3 22:54:06      -15.207980        0.6200
BFGS:    4 22:54:06      -15.260042        0.4260
BFGS:    5 22:54:06      -15.292479        0.2468
BFGS:    6 22:54:06      -15.307583        0.2610
BFGS:    7 22:54:06      -15.310245        0.2911
BFGS:    8 22:54:06      -15.312429        0.3000
BFGS:    9 22:54:06      -15.319536        0.2943
BFGS:   10 22:54:06      -15.328043        0.2492
BFGS:   11 22:54:06      -15.335636        0.1781
BFGS:   12 22:54:06      -15.341776        0.0815
BFGS:   13 22:54:06      -15.344229        0.0219
BFGS:   14 22:54:06      -15.344446        0.0043
BFGS:   15 22:54:06      -15.344463        0.0002
BFGS:   16 22:54:06      -15.344463        0.0000
BFGS:   17 22:54:06      -15.344463        0.0000
Minimization converged after 17 steps.
Maximum force component: 7.950312018101634e-32 eV/Angstrom
Maximum stress component: 2.3343811662666525e-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, 2.2809746654493628e-17, 1.38484881657394e-36], [-2.4571654830929046, 4.255935459321435, -4.0538888695029116e-36], [4.205176201517817e-36, 2.0216525003210238e-36, 5.894569105012033]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.95031202e-32  3.27865342e-32 -6.05468115e-33]
 [-1.00956343e-32  5.24584547e-32  6.05468115e-33]
 [ 5.30020801e-32 -2.18576894e-32  6.05468115e-33]
 [-5.04781715e-32  1.74861516e-32 -9.08202172e-33]]
stress =  [-2.33438117e-10 -2.33438117e-10 -8.94102549e-12  7.36995136e-34
  1.41834780e-34  3.58582886e-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