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 16:43:43      -18.453112         5.302245
BFGS:    1 16:43:43      -19.062823         2.921194
BFGS:    2 16:43:43      -19.354840         1.048302
BFGS:    3 16:43:43      -19.405755         0.184701
BFGS:    4 16:43:43      -19.407724         0.026968
BFGS:    5 16:43:43      -19.407763         0.001514
BFGS:    6 16:43:43      -19.407763         0.000004
BFGS:    7 16:43:43      -19.407763         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5496603887822737e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm', 'Sm', 'Sm']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.160509128466587, 4.0680911995731174e-33, -9.013925757623967e-34], [5.214056436400013e-33, 5.160509128466587, 1.2202953994210893e-17], [-9.706489624763848e-34, 1.2202953994210892e-17, 5.160509128466587]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.54966039e-11 -1.54966039e-11 -1.54966039e-11 -2.92535159e-27
  3.08563178e-34  3.11435695e-50]
energy per atom =  -4.851940717772561
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0