element(s):
['Tb']
AFLOW prototype label:
A_hP6_194_bf
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5699', '4.8566346', '0.08364178']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Tb', 'Tb']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.58364178]]
spacegroup =  194
cell =  [[3.5699, 0, 0], [-1.78495, 3.0916240889701, 0], [0, 0, 17.3377]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:03      -57.393633        30.223317
BFGS:    1 16:33:03      -60.955489        24.236974
BFGS:    2 16:33:03      -63.787244        19.014569
BFGS:    3 16:33:03      -65.973351        14.498759
BFGS:    4 16:33:03      -67.580647        10.625282
BFGS:    5 16:33:03      -68.722642         7.267708
BFGS:    6 16:33:03      -69.450404         4.393287
BFGS:    7 16:33:03      -69.836629         1.941272
BFGS:    8 16:33:03      -69.935241         0.273816
BFGS:    9 16:33:03      -69.936812         0.049549
BFGS:   10 16:33:03      -69.936847         0.020966
BFGS:   11 16:33:03      -69.936866         0.009320
BFGS:   12 16:33:03      -69.936868         0.002045
BFGS:   13 16:33:03      -69.936869         0.000296
BFGS:   14 16:33:03      -69.936869         0.000016
BFGS:   15 16:33:03      -69.936869         0.000000
BFGS:   16 16:33:03      -69.936869         0.000000
Minimization converged after 16 steps.
Maximum force component: 7.901773280277153e-10 eV/Angstrom
Maximum stress component: 1.6843667210181408e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Tb', 'Tb', 'Tb', 'Tb', 'Tb', 'Tb']
basis =  [[0.00000000e+00 1.39101389e-35 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 5.83336778e-01]
 [6.66666667e-01 3.33333333e-01 8.33367778e-02]
 [6.66666667e-01 3.33333333e-01 4.16663222e-01]
 [3.33333333e-01 6.66666667e-01 9.16663222e-01]]
cellpar =  Cell([[3.773303774896557, 1.419479455742945e-17, -1.5839274694581274e-34], [-1.8866518874482785, 3.2677769252561357, -3.178340973305692e-34], [-7.696129412326027e-34, -2.215135141207656e-33, 18.485588190505645]])
forces =  [[ 3.10063732e-32  1.16642901e-49 -6.07606576e-31]
 [-1.55031866e-32 -2.68523069e-32  1.21521315e-30]
 [ 1.55031866e-31 -2.68523069e-31 -7.90177328e-10]
 [-1.24025493e-31  9.46867865e-44 -7.90177328e-10]
 [-1.24025493e-31  1.61113841e-31  7.90177328e-10]
 [ 1.24025493e-31 -9.46867865e-44  7.90177328e-10]]
stress =  [-1.68436672e-10 -1.68436672e-10 -1.14891078e-10  5.13523686e-33
  1.35479004e-33  2.53977365e-26]
energy per atom =  -11.6561447527654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0