element(s):
['H', 'Na']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7821']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.7821, 0, 0], [0, 4.7821, 0], [0, 0, 4.7821]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:25:09      -48.028225         7.509046
BFGS:    1 19:25:09      -49.152278         7.473066
BFGS:    2 19:25:09      -50.268455         7.403257
BFGS:    3 19:25:10      -51.371317         7.294670
BFGS:    4 19:25:10      -52.459512         7.197536
BFGS:    5 19:25:10      -53.525803         7.023552
BFGS:    6 19:25:10      -54.560807         6.766288
BFGS:    7 19:25:10      -55.552422         6.443629
BFGS:    8 19:25:10      -56.490182         6.046659
BFGS:    9 19:25:10      -57.362204         5.565341
BFGS:   10 19:25:10      -58.155005         4.988383
BFGS:   11 19:25:10      -58.853304         4.303072
BFGS:   12 19:25:11      -59.439796         3.495097
BFGS:   13 19:25:11      -59.894898         2.548347
BFGS:   14 19:25:11      -60.196458         1.444673
BFGS:   15 19:25:11      -60.319436         0.163632
BFGS:   16 19:25:11      -60.320875         0.013921
BFGS:   17 19:25:11      -60.320885         0.000119
BFGS:   18 19:25:12      -60.320885         0.000000
BFGS:   19 19:25:12      -60.320885         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.1789070759173624e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.5 0.5 0.5]
 [0.5 0.  0. ]
 [0.  0.5 0. ]
 [0.  0.  0.5]]
cellpar =  Cell([[4.330257173311936, -1.4993877955860218e-32, -5.548447478410952e-34], [-1.2532815358609333e-32, 4.330257173311936, 5.993839352442181e-18], [4.2093297078136384e-34, 5.993839352442179e-18, 4.330257173311936]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.17890708e-14 -5.17890708e-14 -5.17890708e-14 -6.22882921e-33
 -4.93008428e-34  3.23144119e-52]
energy per atom =  -7.540110675619464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0