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 21:35:12      -33.973617         0.105769
BFGS:    1 21:35:12      -33.974092         0.104090
BFGS:    2 21:35:12      -33.985492         0.047599
BFGS:    3 21:35:12      -33.988422         0.001458
BFGS:    4 21:35:13      -33.988425         0.000020
BFGS:    5 21:35:13      -33.988425         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.192281092285493e-31 eV/Angstrom
Maximum stress component: 2.9589471374887703e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.57174747e-35]
 [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 2.57174747e-35]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.48879883453899, 3.401832339773967e-32, -5.439010478117951e-33], [7.681615385671564e-33, 7.48879883453899, -1.5642844017491643e-18], [-2.1728851233528854e-33, -1.564284401749172e-18, 7.48879883453899]])
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]
 [-1.49998180e-31 -1.76920930e-31  1.90382305e-31]
 [-1.58171158e-31  1.68747952e-31 -2.11535895e-31]
 [-9.80757331e-32 -1.88459252e-31  3.84610718e-32]
 [-1.11537108e-31  1.46873218e-31 -1.53844287e-31]
 [ 9.23065723e-32 -1.57690394e-31  8.07682508e-32]
 [-4.51917594e-32  1.06248711e-31 -2.19228109e-31]
 [-1.92305359e-32  9.32680991e-32 -1.38940622e-31]
 [ 1.63459555e-32 -1.99997573e-31  1.59132685e-31]
 [ 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 =  [ 2.95894714e-10  2.95894714e-10  2.95894714e-10 -1.63052080e-26
  1.55962373e-59 -6.36989899e-59]
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