element(s):
['Mg', 'Nd']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.5323']
model name:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Nd']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[7.5323, 0, 0], [0, 7.5323, 0], [0, 0, 7.5323]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:24:37      -33.973617         0.105769
BFGS:    1 10:24:37      -33.974092         0.104090
BFGS:    2 10:24:37      -33.985492         0.047599
BFGS:    3 10:24:38      -33.988422         0.001458
BFGS:    4 10:24:38      -33.988425         0.000020
BFGS:    5 10:24:38      -33.988425         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.360560414729812e-31 eV/Angstrom
Maximum stress component: 2.958945429809718e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Nd', 'Nd', 'Nd', 'Nd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.14349494e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [3.38487238e-68 2.57174747e-35 5.00000000e-01]]
cellpar =  Cell([[7.488798834538988, -2.949198381740886e-32, 7.448221474727134e-34], [-9.856577549167533e-33, 7.488798834538988, 2.68367944970364e-18], [-4.172640979172871e-33, 2.683679449703645e-18, 7.488798834538988]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.49996967e-32  8.84604651e-32 -1.92305359e-33]
 [ 3.96629803e-32 -1.20671613e-31 -4.80763397e-33]
 [-5.88935162e-33  7.98067240e-32 -4.03841254e-32]
 [ 6.63453488e-32 -1.36056041e-31  5.57685541e-32]
 [-4.80763397e-32  1.26921537e-31 -1.05767947e-32]
 [-8.83402743e-33 -5.81723711e-32  6.15377149e-32]
 [-2.40381699e-32 -4.61532862e-32  6.62251580e-32]
 [-6.10569515e-32  1.20190849e-31 -5.28238783e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.95894543e-10  2.95894543e-10  2.95894543e-10 -1.53045134e-26
  9.15766787e-36 -2.33990737e-52]
energy per atom =  -2.1242765657170883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0