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 14:55:14      -55.596645        0.5576
BFGS:    1 14:55:14      -55.609906        0.5522
BFGS:    2 14:55:14      -55.690174        0.5179
BFGS:    3 14:55:14      -55.765231        0.4827
BFGS:    4 14:55:14      -55.834954        0.4468
BFGS:    5 14:55:14      -55.899214        0.4099
BFGS:    6 14:55:14      -55.957882        0.3722
BFGS:    7 14:55:14      -56.010827        0.3336
BFGS:    8 14:55:14      -56.057915        0.2941
BFGS:    9 14:55:14      -56.099010        0.2537
BFGS:   10 14:55:14      -56.133973        0.2123
BFGS:   11 14:55:14      -56.162665        0.1701
BFGS:   12 14:55:14      -56.184942        0.1268
BFGS:   13 14:55:14      -56.200659        0.0826
BFGS:   14 14:55:14      -56.209668        0.0374
BFGS:   15 14:55:14      -56.211945        0.0008
BFGS:   16 14:55:14      -56.211946        0.0000
BFGS:   17 14:55:14      -56.211946        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.1096612318338272e-31 eV/Angstrom
Maximum stress component: 4.421598444441958e-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 2.05279754e-33 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 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, -7.77431739600265e-33, -1.355455545843691e-32], [-1.4111983343477544e-33, 8.642535792133001, -1.7254621327186835e-17], [1.3298230628708605e-32, -1.7254621327186872e-17, 8.642535792133001]])
forces =  [[ 2.21932246e-32  8.87728985e-33 -1.33159348e-32]
 [-3.99478043e-32  1.10966123e-33  2.21932246e-32]
 [-1.10966123e-32 -3.77284819e-32  5.10444167e-32]
 [-1.77545797e-32  4.43082559e-50 -2.21932246e-32]
 [ 4.43864493e-33 -1.10966123e-31 -4.43864493e-33]
 [-3.99478043e-32 -4.43864493e-33 -3.99478043e-32]
 [ 3.36366061e-32  1.76158721e-32  5.54830616e-33]
 [ 2.66318696e-32  4.43864493e-33  4.43864493e-33]
 [ 6.21410290e-32  6.21410290e-32 -3.10705145e-32]
 [-4.43864493e-32 -3.10705145e-32 -2.21932246e-32]
 [ 2.21932246e-32 -6.65796739e-33 -1.47030113e-32]
 [ 8.87728985e-33 -3.10705145e-32  6.54700127e-32]
 [ 2.10835634e-32  8.87728985e-33 -4.43864493e-33]
 [-8.87728985e-33  6.65796739e-32  4.43864493e-32]
 [ 1.33159348e-32  7.32376413e-32  1.33159348e-32]
 [ 2.46899624e-32  1.10966123e-32  4.94146017e-33]
 [-3.00995609e-32  5.65927228e-32 -4.77154330e-32]
 [-2.42738394e-32  1.77545797e-32 -3.05156839e-32]
 [-1.66449185e-33  8.65535761e-32 -1.96964869e-32]
 [ 1.99739022e-32 -1.22062736e-32 -7.21279801e-33]
 [ 2.21932246e-32 -2.99608533e-32 -1.33159348e-32]
 [-8.87728985e-33  1.33159348e-32  1.10966123e-32]
 [-2.66318696e-32  8.87728985e-33  2.66318696e-32]
 [-1.10966123e-32 -3.99478043e-32 -8.87728985e-33]]
stress =  [ 4.42159844e-11  4.42159844e-11  4.42159844e-11  1.24258652e-28
 -1.37517143e-35  8.55334849e-53]
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