element(s):
['Al', 'Sm']
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:
['7.9275']
model name:
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.9275, 0, 0], [0, 7.9275, 0], [0, 0, 7.9275]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:49:24     -109.970902        0.6737
BFGS:    1 14:49:24     -109.990126        0.6581
BFGS:    2 14:49:24     -110.082794        0.5777
BFGS:    3 14:49:24     -110.163474        0.4982
BFGS:    4 14:49:24     -110.232296        0.4195
BFGS:    5 14:49:25     -110.289365        0.3415
BFGS:    6 14:49:25     -110.334754        0.2638
BFGS:    7 14:49:25     -110.368511        0.1864
BFGS:    8 14:49:25     -110.390681        0.1093
BFGS:    9 14:49:25     -110.401311        0.0325
BFGS:   10 14:49:25     -110.402345        0.0001
BFGS:   11 14:49:25     -110.402345        0.0000
BFGS:   12 14:49:25     -110.402345        0.0000
Minimization converged after 12 steps.
Maximum force component: 5.595084114114574e-32 eV/Angstrom
Maximum stress component: 1.2477004184903057e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm']
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 5.60188218e-17]
 [5.60188218e-17 0.00000000e+00 5.00000000e-01]
 [5.60188218e-17 5.00000000e-01 5.60188218e-17]
 [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([[8.069816019154228, -7.522859854974768e-33, 4.059204479121166e-33], [-5.3692066909146e-33, 8.069816019154228, 1.8384323123745283e-17], [-3.510728807234602e-33, 1.8384323123745296e-17, 8.069816019154228]])
forces =  [[-4.14450675e-33 -4.14450675e-33 -7.25288681e-33]
 [ 2.07225338e-32 -6.99385514e-33 -4.14450675e-33]
 [-1.65780270e-32 -2.48670405e-32 -5.66510695e-50]
 [ 1.19154569e-32  5.59508411e-32  8.28901350e-33]
 [ 2.90115473e-32 -1.03612669e-32  4.14450675e-33]
 [-1.24335203e-32 -1.86502804e-32 -4.35173209e-32]
 [-4.14450675e-33  6.21676013e-33 -2.07225338e-33]
 [ 1.24335203e-32 -4.14450675e-33 -5.18063344e-33]
 [-2.90115473e-32 -4.14450675e-33  1.03612669e-33]
 [-2.07225338e-32 -2.48670405e-32 -4.14450675e-32]
 [ 4.14450675e-33  3.97043563e-33 -1.65780270e-32]
 [ 1.24335203e-32 -1.65780270e-32 -1.34696469e-32]
 [-5.11587552e-33  2.83255347e-50  1.24335203e-32]
 [-6.21676013e-33  1.65780270e-32 -1.65780270e-32]
 [-1.45057736e-32 -6.21676013e-33 -2.90115473e-32]
 [ 1.08793302e-32 -1.88836898e-50 -8.28901350e-33]
 [-6.21676013e-33  1.76141537e-32 -3.73005608e-32]
 [ 2.07225338e-33  4.14450675e-32  6.21676013e-33]
 [ 4.14450675e-33  8.28901350e-33 -3.21199273e-32]
 [ 1.36284371e-65 -2.59031672e-32  8.28901350e-33]
 [ 1.86502804e-32  3.52283074e-32 -4.76618276e-32]
 [ 3.31560540e-32  1.22743984e-49  5.38785878e-32]
 [ 4.14450675e-33 -4.14450675e-32 -4.76618276e-32]
 [ 2.07225338e-32 -1.65780270e-32  5.59508411e-32]]
stress =  [-1.24770042e-14 -1.24770042e-14 -1.24770042e-14 -1.94292195e-31
  7.88645720e-36  1.60277041e-52]
energy per atom =  -4.600097725955241
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0