element(s):
['Al', 'Sm']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9921']
model name:
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.9921, 0, 0], [0, 4.9921, 0], [0, 0, 4.9921]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:59:55      -18.269954        1.0771
BFGS:    1 13:59:55      -18.317204        0.9663
BFGS:    2 13:59:55      -18.427248        0.4726
BFGS:    3 13:59:55      -18.454822        0.0930
BFGS:    4 13:59:55      -18.455908        0.0011
BFGS:    5 13:59:55      -18.455908        0.0000
BFGS:    6 13:59:55      -18.455908        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.766727150172353e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm', 'Sm', 'Sm']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.860476956956538, -2.2480827721662837e-32, -7.851107185956184e-33], [-1.8680954086218785e-32, 4.860476956956538, 2.839561521182233e-18], [2.8338584714947233e-32, 2.839561521182203e-18, 4.860476956956538]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.76672715e-14  5.76672715e-14  5.76672715e-14 -2.14783554e-29
  5.43489865e-36 -9.79600948e-52]
energy per atom =  -4.613976994161169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0