element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:06:38     -143.400438      108.2560
BFGS:    1 17:06:38     -157.100283       75.5243
BFGS:    2 17:06:38     -166.376648       49.1514
BFGS:    3 17:06:38     -172.113944       28.1511
BFGS:    4 17:06:38     -175.040001       11.5174
BFGS:    5 17:06:38     -175.734630        2.1217
BFGS:    6 17:06:38     -175.761842        0.2110
BFGS:    7 17:06:38     -175.762121        0.0045
BFGS:    8 17:06:38     -175.762121        0.0000
BFGS:    9 17:06:38     -175.762121        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1029248039343805e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.10106889e-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([[4.5108620120552265, 2.001609767866548e-33, -8.888767377004755e-33], [-2.3541809566344883e-33, 4.5108620120552265, -1.184496685790431e-17], [-1.8932048496689752e-32, -1.1844966857904284e-17, 4.5108620120552265]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.10292480e-11 -2.10292480e-11 -2.10292480e-11  1.41167907e-26
  1.48974689e-59 -6.10526395e-61]
energy per atom =  -43.940530172596326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0