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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:51:51      -34.659664         0.840903
BFGS:    1 12:51:51      -34.672858         0.706138
BFGS:    2 12:51:52      -34.705271         0.239662
BFGS:    3 12:51:52      -34.709481         0.207402
BFGS:    4 12:51:52      -34.710358         0.168423
BFGS:    5 12:51:52      -34.711713         0.068063
BFGS:    6 12:51:52      -34.712070         0.029126
BFGS:    7 12:51:52      -34.712130         0.008110
BFGS:    8 12:51:53      -34.712134         0.005468
BFGS:    9 12:51:53      -34.712137         0.007046
BFGS:   10 12:51:53      -34.712144         0.007881
BFGS:   11 12:51:53      -34.712152         0.005605
BFGS:   12 12:51:53      -34.712157         0.003650
BFGS:   13 12:51:53      -34.712158         0.002675
BFGS:   14 12:51:54      -34.712159         0.001830
BFGS:   15 12:51:54      -34.712159         0.001698
BFGS:   16 12:51:54      -34.712159         0.001090
BFGS:   17 12:51:54      -34.712160         0.000367
BFGS:   18 12:51:54      -34.712160         0.000097
BFGS:   19 12:51:54      -34.712160         0.000010
BFGS:   20 12:51:54      -34.712160         0.000001
BFGS:   21 12:51:55      -34.712160         0.000000
BFGS:   22 12:51:55      -34.712160         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.411194683969658e-11 eV/Angstrom
Maximum stress component: 2.8154344048683044e-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]
 [1.14794370e-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([[3.8511579350135436, -2.779896410593135e-38, 0.0], [-1.0196037686918942e-36, 6.670401211551781, 0.0], [0.0, 0.0, 12.57930127452602]])
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]
 [-1.13283771e-47  7.41119468e-11  0.00000000e+00]
 [ 1.13283771e-47 -7.41119468e-11  1.06598153e-31]
 [-1.13283771e-47  7.41119468e-11  0.00000000e+00]
 [ 1.13283771e-47 -7.41119468e-11  1.93814824e-32]]
stress =  [-2.81543440e-11 -6.84527334e-12  1.62127018e-11  0.00000000e+00
  0.00000000e+00 -1.16452902e-48]
energy per atom =  -4.33901995312731
===============================================
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.