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 17:20:49      -38.060012       28.6604
BFGS:    1 17:20:49      -41.686566       19.9885
BFGS:    2 17:20:49      -44.141124       13.0015
BFGS:    3 17:20:49      -45.658091        7.4381
BFGS:    4 17:20:49      -46.430324        3.0317
BFGS:    5 17:20:49      -46.611977        0.5573
BFGS:    6 17:20:49      -46.619058        0.0551
BFGS:    7 17:20:49      -46.619130        0.0012
BFGS:    8 17:20:49      -46.619130        0.0000
BFGS:    9 17:20:49      -46.619130        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1507162523702053e-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([[5.336020261948099, 1.236685904238604e-32, -1.1829755164751124e-33], [1.312745847746081e-32, 5.336020261948099, -5.531798427040764e-19], [4.370036686035967e-34, -5.531798427040787e-19, 5.336020261948099]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.15071625e-12 -3.15071625e-12 -3.15071625e-12  2.75234411e-29
 -2.16448970e-33 -1.01623419e-50]
energy per atom =  -11.654782461616016
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0