element(s):
['Al', 'Sm']
AFLOW prototype label:
A4B_tI10_139_de_a
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.288', '2.6274254', '0.61296745']
model name:
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Sm']
representative atom coordinates =  [[0.         0.5        0.25      ]
 [0.         0.         0.61296745]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[4.288, 0, 0], [0, 4.288, 0], [0, 0, 11.2664]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:36      -39.420506         0.066982
BFGS:    1 15:48:36      -39.420650         0.062834
BFGS:    2 15:48:36      -39.421579         0.024698
BFGS:    3 15:48:36      -39.421595         0.025329
BFGS:    4 15:48:36      -39.421834         0.035704
BFGS:    5 15:48:36      -39.421893         0.036003
BFGS:    6 15:48:36      -39.422430         0.042108
BFGS:    7 15:48:36      -39.422779         0.033916
BFGS:    8 15:48:36      -39.422966         0.011004
BFGS:    9 15:48:36      -39.422986         0.001356
BFGS:   10 15:48:36      -39.422986         0.000066
BFGS:   11 15:48:36      -39.422986         0.000008
BFGS:   12 15:48:36      -39.422986         0.000000
BFGS:   13 15:48:36      -39.422986         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.726885668007453e-09 eV/Angstrom
Maximum stress component: 9.603030879205425e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Sm', 'Sm']
basis =  [[5.26960703e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.22709628e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [9.73450382e-34 7.22709628e-34 6.12292017e-01]
 [0.00000000e+00 0.00000000e+00 3.87707983e-01]
 [5.00000000e-01 5.00000000e-01 1.12292017e-01]
 [5.00000000e-01 5.00000000e-01 8.87707983e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.263798062032412, -2.3056418626826697e-37, 6.732196526090378e-32], [-1.8344722977772966e-38, 4.2637980620324125, -1.707384776001161e-17], [-1.4502348874916922e-32, -4.5130148987037994e-17, 11.34004157341287]])
forces =  [[-1.31388422e-32 -6.56942109e-33 -1.39776804e-31]
 [ 1.97082633e-32  1.31388422e-32 -1.74721005e-31]
 [ 1.31388422e-32  1.31388422e-32 -1.02102587e-31]
 [-1.31388422e-32 -1.31388422e-32  2.62081508e-32]
 [ 3.48731061e-42  1.08522381e-26 -2.72688567e-09]
 [ 6.56942109e-33 -1.08522315e-26  2.72688567e-09]
 [ 3.48731061e-42  1.08522446e-26 -2.72688567e-09]
 [-3.48731061e-42 -1.08522315e-26  2.72688567e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [9.60303088e-12 9.60303088e-12 6.21022396e-12 4.54783658e-28
 2.23057709e-34 1.63348424e-50]
energy per atom =  -3.942298641215512
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0