element(s):
['Tb']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0132']
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 =  229
cell =  [[4.0132, 0, 0], [0, 4.0132, 0], [0, 0, 4.0132]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:24:18      -17.670908        29.693698
BFGS:    1 16:24:18      -20.853135        13.901875
BFGS:    2 16:24:18      -22.050743         4.855802
BFGS:    3 16:24:18      -22.266413         1.350880
BFGS:    4 16:24:18      -22.287211         0.188897
BFGS:    5 16:24:18      -22.287651         0.009612
BFGS:    6 16:24:18      -22.287652         0.000074
BFGS:    7 16:24:18      -22.287652         0.000000
BFGS:    8 16:24:18      -22.287652         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.239543536036079e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Tb', 'Tb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.27066704092564, 6.286111482742113e-33, 1.0303501478841733e-34], [8.954183937414817e-33, 4.27066704092564, -5.177147985606233e-18], [-1.602513207057048e-33, -5.177147985606341e-18, 4.27066704092564]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.23954354e-15 -3.23954354e-15 -3.23954354e-15  1.68858705e-31
  2.25272292e-33 -1.08995582e-49]
energy per atom =  -11.143825924053539
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0