element(s):
['Tb']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6275', '1.5639145']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Tb']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.6275, 0, 0], [-1.81375, 3.1415071522281, 0], [0, 0, 5.6731]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:32      -19.471306        34.953852
BFGS:    1 16:02:33      -21.791039        19.372851
BFGS:    2 16:02:33      -22.859116         9.330722
BFGS:    3 16:02:33      -23.271256         2.725998
BFGS:    4 16:02:33      -23.313456         0.569616
BFGS:    5 16:02:33      -23.315625         0.041961
BFGS:    6 16:02:33      -23.315636         0.000763
BFGS:    7 16:02:33      -23.315636         0.000003
BFGS:    8 16:02:33      -23.315636         0.000000
BFGS:    9 16:02:33      -23.315636         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.7210059336577865e-31 eV/Angstrom
Maximum stress component: 2.597045801127143e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Tb', 'Tb']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.773548324203277, 3.3251355946642553e-17, 1.5735097873425231e-35], [-1.8867741621016385, 3.2679887111682357, 2.832653568079093e-35], [2.518870760198012e-35, 8.728484451609637e-34, 6.162301532913307]])
forces =  [[ 4.13966389e-67  1.43449170e-65  1.01274974e-31]
 [-3.72100593e-31  2.14832378e-31 -1.01274974e-31]]
stress =  [ 2.59704580e-11  2.59704580e-11 -1.80783239e-11  4.08042789e-33
  1.41350169e-33 -2.58772630e-27]
energy per atom =  -11.657818068337797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0