element(s):
['Mg', 'Nd']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.9016']
model name:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Nd']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[8.9016, 0, 0], [0, 8.9016, 0], [0, 0, 8.9016]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:20      -55.596645         0.557604
BFGS:    1 16:17:20      -55.609906         0.552211
BFGS:    2 16:17:20      -55.690174         0.517890
BFGS:    3 16:17:20      -55.765231         0.482741
BFGS:    4 16:17:20      -55.834954         0.446751
BFGS:    5 16:17:20      -55.899214         0.409906
BFGS:    6 16:17:20      -55.957882         0.372191
BFGS:    7 16:17:20      -56.010827         0.333592
BFGS:    8 16:17:20      -56.057915         0.294095
BFGS:    9 16:17:20      -56.099010         0.253683
BFGS:   10 16:17:20      -56.133973         0.212342
BFGS:   11 16:17:20      -56.162665         0.170056
BFGS:   12 16:17:20      -56.184942         0.126810
BFGS:   13 16:17:20      -56.200659         0.082587
BFGS:   14 16:17:20      -56.209668         0.037372
BFGS:   15 16:17:20      -56.211945         0.000761
BFGS:   16 16:17:20      -56.211946         0.000007
BFGS:   17 16:17:20      -56.211946         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.774153079584568e-32 eV/Angstrom
Maximum stress component: 4.4215965325592035e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.43737299e-33 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[8.642535792133001, -1.2965777477926697e-32, -2.0282065053268068e-32], [-4.5506960100309114e-33, 8.642535792133001, -7.30573758497808e-18], [-7.300825742299339e-33, -7.305737584978082e-18, 8.642535792133001]])
forces =  [[-1.66449185e-33  6.93538270e-35 -1.10966123e-33]
 [-4.43864493e-33  6.65796739e-33 -7.21279801e-33]
 [-3.05156839e-33  2.77415308e-33  1.94190716e-33]
 [ 1.10966123e-33  5.13218320e-33 -1.10966123e-33]
 [ 2.98221456e-33 -1.38707654e-32 -1.16514429e-32]
 [ 1.27611042e-32 -1.66449185e-32  7.76762862e-33]
 [ 5.54830616e-33 -8.32372637e-66 -1.30206121e-65]
 [ 2.77415308e-34  2.91286073e-33  1.38707654e-34]
 [-2.77415308e-33 -1.94190716e-32  6.65796739e-33]
 [ 7.21279801e-33 -1.56739649e-32  1.05417817e-32]
 [ 5.54830616e-34  1.10966123e-32 -9.98695109e-33]
 [-6.65796739e-33  2.77415308e-33 -2.21932246e-33]
 [-1.10966123e-33  1.66449185e-33 -1.40703388e-51]
 [-4.06690381e-66  1.30645272e-32 -3.32898370e-33]
 [-4.43864493e-33 -2.21932246e-33  9.43212047e-33]
 [ 6.45247871e-67  5.54830616e-34 -1.10966123e-33]
 [-2.69786387e-32  3.32898370e-33 -1.71997491e-32]
 [-7.49021331e-33  9.98695109e-33  1.38014116e-32]
 [ 1.10966123e-32 -6.65796739e-33  8.87728985e-33]
 [-1.55352572e-32  1.10966123e-32 -2.55222083e-32]
 [-2.21932246e-33  7.76762862e-33 -2.38577165e-32]
 [ 1.71997491e-32 -9.84824343e-33 -2.48113316e-32]
 [ 2.77415308e-32  9.43212047e-33 -9.98695109e-33]
 [-1.77545797e-32  7.35150566e-33 -1.88642409e-32]]
stress =  [ 4.42159653e-11  4.42159653e-11  4.42159653e-11 -1.40244751e-29
  6.86374200e-36 -2.10594067e-52]
energy per atom =  -2.342164410761636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0