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 16:39:51      -37.469795        0.8688
BFGS:    1 16:39:51      -37.491537        0.8424
BFGS:    2 16:39:51      -37.567321        0.7344
BFGS:    3 16:39:51      -37.625463        0.6219
BFGS:    4 16:39:51      -37.666615        0.5042
BFGS:    5 16:39:51      -37.691745        0.3806
BFGS:    6 16:39:51      -37.702730        0.2523
BFGS:    7 16:39:51      -37.705245        0.2165
BFGS:    8 16:39:51      -37.710594        0.2451
BFGS:    9 16:39:51      -37.719240        0.2372
BFGS:   10 16:39:51      -37.729128        0.1803
BFGS:   11 16:39:51      -37.735653        0.0633
BFGS:   12 16:39:52      -37.736545        0.0162
BFGS:   13 16:39:52      -37.736612        0.0069
BFGS:   14 16:39:52      -37.736615        0.0063
BFGS:   15 16:39:52      -37.736618        0.0054
BFGS:   16 16:39:52      -37.736625        0.0042
BFGS:   17 16:39:52      -37.736633        0.0034
BFGS:   18 16:39:52      -37.736637        0.0015
BFGS:   19 16:39:52      -37.736638        0.0004
BFGS:   20 16:39:52      -37.736638        0.0002
BFGS:   21 16:39:52      -37.736638        0.0002
BFGS:   22 16:39:52      -37.736638        0.0002
BFGS:   23 16:39:52      -37.736638        0.0003
BFGS:   24 16:39:52      -37.736638        0.0003
BFGS:   25 16:39:52      -37.736638        0.0005
BFGS:   26 16:39:52      -37.736638        0.0009
BFGS:   27 16:39:52      -37.736639        0.0012
BFGS:   28 16:39:52      -37.736640        0.0011
BFGS:   29 16:39:52      -37.736641        0.0006
BFGS:   30 16:39:52      -37.736641        0.0001
BFGS:   31 16:39:52      -37.736641        0.0000
BFGS:   32 16:39:52      -37.736641        0.0000
BFGS:   33 16:39:52      -37.736641        0.0000
BFGS:   34 16:39:52      -37.736641        0.0000
Minimization converged after 34 steps.
Maximum force component: 2.6653943763218183e-10 eV/Angstrom
Maximum stress component: 2.0779417654090363e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.5        0.5        0.5       ]
 [0.         0.66666667 0.25      ]
 [0.         0.33333333 0.75      ]
 [0.5        0.16666667 0.25      ]
 [0.5        0.83333333 0.75      ]]
cellpar =  Cell([[3.775447377537929, 1.3991486942936317e-37, 0.0], [3.703110885870515e-36, 6.539266681610734, 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]
 [ 1.50938192e-46  2.66539438e-10  0.00000000e+00]
 [-1.50938192e-46 -2.66539438e-10 -3.69193357e-32]
 [ 1.50938192e-46  2.66539438e-10  0.00000000e+00]
 [-1.50938192e-46 -2.66539438e-10  1.10758007e-31]]
stress =  [-2.07794177e-11  1.73587575e-11  2.38318665e-12  0.00000000e+00
  0.00000000e+00  4.12573324e-47]
energy per atom =  -4.717080088089649
===============================================
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.