element(s):
['Al', 'Sm']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6933']
model name:
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.6933, 0, 0], [0, 3.6933, 0], [0, 0, 3.6933]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:48       -8.882929         1.383896
BFGS:    1 12:20:48       -8.958409         1.145241
BFGS:    2 12:20:48       -9.054901         0.000241
BFGS:    3 12:20:48       -9.054901         0.000086
BFGS:    4 12:20:48       -9.054901         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2124282423812585e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5644449857524907, -9.240375783164876e-33, 1.5670168991337254e-32], [8.939798371012058e-33, 3.5644449857524907, 6.808972685085504e-21], [4.0183504730680456e-33, 6.808972685110243e-21, 3.5644449857524907]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.21242824e-10  1.21242824e-10  1.21242824e-10  2.76003361e-26
 -6.08956343e-59 -6.53209254e-59]
energy per atom =  -4.5274503251830245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0