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_MendelevFangYe_2015_AlSm__MO_338600200739_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 12:20:50       -9.040361         0.846849
BFGS:    1 12:20:50       -9.071102         0.844195
BFGS:    2 12:20:50       -9.183022         0.561785
BFGS:    3 12:20:50       -9.197230         0.582066
BFGS:    4 12:20:50       -9.211355         0.159804
BFGS:    5 12:20:50       -9.212917         0.027475
BFGS:    6 12:20:50       -9.212960         0.002045
BFGS:    7 12:20:50       -9.212961         0.000022
BFGS:    8 12:20:50       -9.212961         0.000000
BFGS:    9 12:20:50       -9.212961         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.448920039713005e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5212011008347015, 1.7005425265316627e-33, 9.585413496876849e-33], [2.6680159014642763e-32, 3.5212011008347015, -1.4390638622852983e-17], [3.474014952335443e-33, -1.4390638622852968e-17, 3.5212011008347015]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.44892004e-15 -6.44892004e-15 -6.44892004e-15 -2.27095036e-30
  3.31373326e-34  5.93010355e-50]
energy per atom =  -4.606480321150779
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0