element(s):
['Sm']
AFLOW prototype label:
A_oC8_63_ac
Parameter names:
['a', 'b/a', 'c/a', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8076', '1.743618', '3.3260584', '0.66615593']
model name:
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sm', 'Sm']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.66615593 0.25      ]]
spacegroup =  63
cell =  [[3.8076, 0, 0], [0, 6.639, 0], [0, 0, 12.6643]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:36      -37.469795         0.868828
BFGS:    1 15:48:36      -37.491537         0.842448
BFGS:    2 15:48:36      -37.567321         0.734377
BFGS:    3 15:48:36      -37.625463         0.621923
BFGS:    4 15:48:36      -37.666615         0.504151
BFGS:    5 15:48:36      -37.691745         0.380576
BFGS:    6 15:48:36      -37.702730         0.252263
BFGS:    7 15:48:37      -37.705245         0.216539
BFGS:    8 15:48:37      -37.710594         0.245139
BFGS:    9 15:48:37      -37.719240         0.237192
BFGS:   10 15:48:37      -37.729128         0.180287
BFGS:   11 15:48:37      -37.735653         0.063318
BFGS:   12 15:48:37      -37.736545         0.016193
BFGS:   13 15:48:37      -37.736612         0.006926
BFGS:   14 15:48:37      -37.736615         0.006263
BFGS:   15 15:48:37      -37.736618         0.005419
BFGS:   16 15:48:37      -37.736625         0.004183
BFGS:   17 15:48:37      -37.736633         0.003377
BFGS:   18 15:48:37      -37.736637         0.001489
BFGS:   19 15:48:37      -37.736638         0.000450
BFGS:   20 15:48:37      -37.736638         0.000220
BFGS:   21 15:48:37      -37.736638         0.000186
BFGS:   22 15:48:37      -37.736638         0.000215
BFGS:   23 15:48:37      -37.736638         0.000259
BFGS:   24 15:48:37      -37.736638         0.000327
BFGS:   25 15:48:37      -37.736638         0.000491
BFGS:   26 15:48:37      -37.736638         0.000870
BFGS:   27 15:48:37      -37.736639         0.001203
BFGS:   28 15:48:37      -37.736640         0.001136
BFGS:   29 15:48:37      -37.736641         0.000569
BFGS:   30 15:48:37      -37.736641         0.000107
BFGS:   31 15:48:37      -37.736641         0.000003
BFGS:   32 15:48:37      -37.736641         0.000001
BFGS:   33 15:48:37      -37.736641         0.000000
BFGS:   34 15:48:37      -37.736641         0.000000
Minimization converged after 34 steps.
Maximum force component: 2.665396063826852e-10 eV/Angstrom
Maximum stress component: 2.0779527439650066e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.11221641e-37 6.66666667e-01 2.50000000e-01]
 [0.00000000e+00 3.33333333e-01 7.50000000e-01]
 [5.00000000e-01 1.66666667e-01 2.50000000e-01]
 [5.00000000e-01 8.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[3.7754473775379256, -2.505078848117681e-36, 0.0], [4.4923172223449505e-36, 6.539266681610739, 0.0], [0.0, 0.0, 11.981009419758617]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.83106229e-46  2.66539606e-10  0.00000000e+00]
 [-1.83106229e-46 -2.66539606e-10 -4.61491696e-32]
 [ 1.83106229e-46  2.66539606e-10  0.00000000e+00]
 [-1.83106229e-46 -2.66539606e-10 -3.69193357e-32]]
stress =  [-2.07795274e-11  1.73586756e-11  2.38315850e-12  0.00000000e+00
  0.00000000e+00 -6.24069564e-35]
energy per atom =  -4.717080088089632
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_63_ac, while relaxed is A_hP4_194_ac. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.