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 13:20:09      -18.269954         1.077069
BFGS:    1 13:20:09      -18.317204         0.966279
BFGS:    2 13:20:09      -18.427248         0.472557
BFGS:    3 13:20:09      -18.454822         0.093031
BFGS:    4 13:20:09      -18.455908         0.001119
BFGS:    5 13:20:09      -18.455908         0.000001
BFGS:    6 13:20:09      -18.455908         0.000000
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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.40773791e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.860476956956538, -6.314293920992081e-33, -1.6621990899574774e-33], [-5.155865901664019e-33, 4.860476956956538, 2.8395809847328216e-18], [3.9091758014196424e-33, 2.839580984732815e-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 -4.90765353e-30
  5.43489865e-36 -1.63723734e-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