element(s):
['Al', 'Sm']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9921']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.9921, 0, 0], [0, 4.9921, 0], [0, 0, 4.9921]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:56      -18.453112         5.302245
BFGS:    1 16:05:56      -19.062823         2.921194
BFGS:    2 16:05:56      -19.354840         1.048302
BFGS:    3 16:05:56      -19.405755         0.184701
BFGS:    4 16:05:56      -19.407724         0.026968
BFGS:    5 16:05:56      -19.407763         0.001514
BFGS:    6 16:05:56      -19.407763         0.000004
BFGS:    7 16:05:56      -19.407763         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5497856060652858e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm', 'Sm', 'Sm']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.32589198e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.160509128466585, -1.7826182117801375e-32, -2.60475004700227e-32], [4.789451472161324e-33, 5.160509128466585, 1.0381278000764148e-17], [1.3227356600226115e-32, 1.0381278000764112e-17, 5.160509128466585]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.54978561e-11 -1.54978561e-11 -1.54978561e-11  5.10300142e-27
 -1.32678303e-59 -8.22262375e-61]
energy per atom =  -4.8519407177725595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0