element(s):
['Tb']
AFLOW prototype label:
A_hR3_166_ac
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5889699', '7.1861087', '0.22218219']
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.        ]
 [0.         0.         0.22218219]]
spacegroup =  166
cell =  [[3.589, 0, 0], [-1.7945, 3.1081651741824, 0], [0, 0, 25.7907]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:38:48      -86.261155        32.926470
BFGS:    1 10:38:48      -89.629806        28.813918
BFGS:    2 10:38:48      -92.567218        25.051658
BFGS:    3 10:38:49      -95.102061        21.645440
BFGS:    4 10:38:49      -97.260411        18.518774
BFGS:    5 10:38:49      -99.083623        15.680448
BFGS:    6 10:38:50     -100.596859        13.100550
BFGS:    7 10:38:50     -101.838363        10.742176
BFGS:    8 10:38:50     -102.830538         8.599747
BFGS:    9 10:38:51     -103.600899         6.653440
BFGS:   10 10:38:51     -104.171847         4.887987
BFGS:   11 10:38:51     -104.565942         3.288165
BFGS:   12 10:38:51     -104.804005         1.853159
BFGS:   13 10:38:52     -104.906359         0.550946
BFGS:   14 10:38:52     -104.914412         0.103720
BFGS:   15 10:38:52     -104.914644         0.056194
BFGS:   16 10:38:53     -104.914891         0.032923
BFGS:   17 10:38:53     -104.914934         0.009085
BFGS:   18 10:38:53     -104.914937         0.001600
BFGS:   19 10:38:54     -104.914938         0.000108
BFGS:   20 10:38:54     -104.914938         0.000003
BFGS:   21 10:38:54     -104.914938         0.000000
BFGS:   22 10:38:55     -104.914938         0.000000
Minimization converged after 22 steps.
Maximum force component: 3.4462782022960416e-12 eV/Angstrom
Maximum stress component: 2.0079479138901522e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Tb', 'Tb', 'Tb', 'Tb', 'Tb', 'Tb', 'Tb', 'Tb', 'Tb']
basis =  [[2.16194942e-33 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [2.74919792e-17 0.00000000e+00 2.22222862e-01]
 [9.62442175e-17 0.00000000e+00 7.77777138e-01]
 [6.66666667e-01 3.33333333e-01 5.55556195e-01]
 [6.66666667e-01 3.33333333e-01 1.11110472e-01]
 [3.33333333e-01 6.66666667e-01 8.88889528e-01]
 [3.33333333e-01 6.66666667e-01 4.44443805e-01]]
cellpar =  Cell([[3.7734603653359176, -5.1743904690030065e-17, -4.323612869931472e-16], [-1.886730182667959, 3.267912536554614, 4.3390127345392174e-16], [-3.580497764711259e-15, 1.8103388191020246e-15, 27.727929670508832]])
forces =  [[ 2.58397167e-33 -1.79022808e-32 -1.82278997e-30]
 [ 2.35376226e-46 -1.19008793e-46 -1.82278997e-30]
 [ 2.35376226e-46 -1.19008793e-46 -1.82278997e-30]
 [-4.45058031e-28  2.25005303e-28  3.44627820e-12]
 [ 4.45058031e-28 -2.25005303e-28 -3.44627820e-12]
 [-4.44975343e-28  2.25005303e-28  3.44627820e-12]
 [ 4.45027023e-28 -2.25130619e-28 -3.44627820e-12]
 [-4.45099374e-28  2.25005303e-28  3.44627820e-12]
 [ 4.45140718e-28 -2.25076912e-28 -3.44627820e-12]]
stress =  [-7.07418372e-12 -7.07418372e-12 -2.00794791e-11  1.79963843e-27
 -3.21418482e-27  1.30664033e-26]
energy per atom =  -11.657215283886083
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0