element(s):
['Tb']
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:
['5.0304']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Tb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.0304, 0, 0], [0, 5.0304, 0], [0, 0, 5.0304]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:46      -38.060012        28.660396
BFGS:    1 15:17:46      -41.686566        19.988485
BFGS:    2 15:17:46      -44.141124        13.001483
BFGS:    3 15:17:46      -45.658091         7.438110
BFGS:    4 15:17:46      -46.430324         3.031736
BFGS:    5 15:17:46      -46.611977         0.557346
BFGS:    6 15:17:46      -46.619058         0.055080
BFGS:    7 15:17:47      -46.619130         0.001160
BFGS:    8 15:17:47      -46.619130         0.000002
BFGS:    9 15:17:47      -46.619130         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1531403047475407e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Tb', 'Tb', 'Tb', 'Tb']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.336020261948097, -9.445937543558854e-33, -8.934545491454461e-33], [-6.058745267894207e-33, 5.336020261948097, -4.976914435462801e-18], [-2.6082253361530686e-32, -4.9769144354627916e-18, 5.336020261948097]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.15314030e-12 -3.15314030e-12 -3.15314030e-12  9.48561684e-29
  9.37945538e-34 -2.05933574e-50]
energy per atom =  -11.654782461616014
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0