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 14:47:17      -57.393633        30.223317
BFGS:    1 14:47:17      -60.955489        24.236974
BFGS:    2 14:47:17      -63.787244        19.014569
BFGS:    3 14:47:17      -65.973351        14.498759
BFGS:    4 14:47:17      -67.580647        10.625282
BFGS:    5 14:47:18      -68.722642         7.267708
BFGS:    6 14:47:18      -69.450404         4.393287
BFGS:    7 14:47:18      -69.836629         1.941272
BFGS:    8 14:47:18      -69.935241         0.273816
BFGS:    9 14:47:18      -69.936812         0.049549
BFGS:   10 14:47:18      -69.936847         0.020966
BFGS:   11 14:47:18      -69.936866         0.009320
BFGS:   12 14:47:18      -69.936868         0.002045
BFGS:   13 14:47:18      -69.936869         0.000296
BFGS:   14 14:47:18      -69.936869         0.000016
BFGS:   15 14:47:18      -69.936869         0.000000
BFGS:   16 14:47:18      -69.936869         0.000000
Minimization converged after 16 steps.
Maximum force component: 7.901237177010934e-10 eV/Angstrom
Maximum stress component: 1.6843699844728267e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Tb', 'Tb', 'Tb', 'Tb', 'Tb', 'Tb']
basis =  [[0.00000000e+00 9.02603337e-35 2.50000000e-01]
 [1.77773929e-34 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([[3.773303774896556, 1.684824686241261e-17, 2.569260743533028e-32], [-1.886651887448278, 3.2677769252561357, 5.138563208667925e-32], [1.2533802303762221e-31, 3.6190120785000104e-31, 18.485588190505645]])
forces =  [[ 1.55031866e-31 -5.37046138e-32 -5.69631165e-32]
 [-1.55031866e-31  5.37046138e-32  6.85677930e-69]
 [-3.41070106e-31  1.61113841e-31 -7.90123718e-10]
 [ 3.44945902e-31 -6.04176906e-32 -7.90123718e-10]
 [ 3.10063732e-31 -1.07409228e-31  7.90123718e-10]
 [-4.03082852e-31  2.68523069e-31  7.90123718e-10]]
stress =  [-1.68436998e-10 -1.68436998e-10 -1.14890953e-10 -2.63988426e-33
  1.08235999e-33 -2.10737195e-26]
energy per atom =  -11.656144752765401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0