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_MendelevFangYe_2015_AlSm__MO_338600200739_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 15:48:38      -43.100838         0.326335
BFGS:    1 15:48:38      -43.105507         0.310572
BFGS:    2 15:48:38      -43.132118         0.134540
BFGS:    3 15:48:38      -43.134051         0.129232
BFGS:    4 15:48:38      -43.136557         0.091278
BFGS:    5 15:48:38      -43.137793         0.072109
BFGS:    6 15:48:38      -43.138064         0.056682
BFGS:    7 15:48:38      -43.138142         0.048171
BFGS:    8 15:48:38      -43.138285         0.036677
BFGS:    9 15:48:38      -43.138615         0.035128
BFGS:   10 15:48:38      -43.139235         0.043496
BFGS:   11 15:48:38      -43.140017         0.037853
BFGS:   12 15:48:38      -43.140487         0.018577
BFGS:   13 15:48:38      -43.140592         0.005534
BFGS:   14 15:48:38      -43.140600         0.000467
BFGS:   15 15:48:38      -43.140600         0.000028
BFGS:   16 15:48:38      -43.140600         0.000001
BFGS:   17 15:48:38      -43.140600         0.000000
BFGS:   18 15:48:38      -43.140600         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.3388545403021445e-09 eV/Angstrom
Maximum stress component: 8.281424286005686e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Sm', 'Sm']
basis =  [[0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 8.86196986e-34 2.50000000e-01]
 [1.08238856e-33 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 4.54459993e-35 7.50000000e-01]
 [1.00333549e-33 0.00000000e+00 6.11479465e-01]
 [0.00000000e+00 5.90797991e-34 3.88520535e-01]
 [5.00000000e-01 5.00000000e-01 1.11479465e-01]
 [5.00000000e-01 5.00000000e-01 8.88520535e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.237842658420654, 4.760932758063993e-37, 2.6365343357297874e-32], [5.478414237312449e-37, 4.237842658420654, -8.575353169632717e-19], [3.214025887261742e-32, -2.290852574170948e-18, 11.291701970909783]])
forces =  [[ 1.63235762e-33 -3.26471523e-33 -3.71874161e-31]
 [ 1.63235762e-33  4.89707285e-33 -3.47952431e-32]
 [ 1.12224586e-33  4.14465801e-33  3.47952431e-32]
 [ 4.46347785e-34 -2.85662583e-33  5.78043531e-52]
 [-2.55055887e-34  6.77384365e-28 -3.33885454e-09]
 [ 1.83640233e-33 -6.77384467e-28  3.33885454e-09]
 [ 4.08089394e-34  6.77384467e-28 -3.33885454e-09]
 [ 8.16178817e-34 -6.77385283e-28  3.33885454e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-8.28142429e-11 -8.28142429e-11 -1.19840627e-11  1.96244991e-26
  1.28791212e-34  2.38000804e-50]
energy per atom =  -4.314060021520606
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0