element(s):
['Ta']
AFLOW prototype label:
A_tP4_127_g
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3819', '0.50872368', '0.28968096']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0.28968096 0.78968096 0.        ]]
spacegroup =  127
cell =  [[5.3819, 0, 0], [0, 5.3819, 0], [0, 0, 2.7379]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:59:47      195.168892       465.551928
BFGS:    1 16:59:47      133.963493       375.956876
BFGS:    2 16:59:47      115.224378       372.246957
BFGS:    3 16:59:47       75.550473       294.819153
BFGS:    4 16:59:47       38.354095       245.259528
BFGS:    5 16:59:47       13.198680       202.450164
BFGS:    6 16:59:47      -13.801224       163.494525
BFGS:    7 16:59:47      -35.542325       129.065415
BFGS:    8 16:59:47      -52.593473       100.697530
BFGS:    9 16:59:47      -65.788127        77.442402
BFGS:   10 16:59:47      -75.840105        58.362614
BFGS:   11 16:59:47      -83.314929        42.674155
BFGS:   12 16:59:47      -88.683182        29.951494
BFGS:   13 16:59:47      -92.330822        19.450828
BFGS:   14 16:59:47      -94.569995        10.959809
BFGS:   15 16:59:47      -95.669626         4.138712
BFGS:   16 16:59:47      -95.874705         0.703114
BFGS:   17 16:59:47      -95.880299         0.113528
BFGS:   18 16:59:47      -95.880355         0.124537
BFGS:   19 16:59:47      -95.880378         0.118027
BFGS:   20 16:59:47      -95.880429         0.063479
BFGS:   21 16:59:47      -95.880444         0.019002
BFGS:   22 16:59:47      -95.880447         0.002788
BFGS:   23 16:59:47      -95.880447         0.000333
BFGS:   24 16:59:47      -95.880447         0.000032
BFGS:   25 16:59:47      -95.880447         0.000008
BFGS:   26 16:59:47      -95.880447         0.000001
BFGS:   27 16:59:47      -95.880447         0.000000
BFGS:   28 16:59:47      -95.880447         0.000000
BFGS:   29 16:59:47      -95.880447         0.000000
Minimization converged after 29 steps.
Maximum force component: 8.534880744856534e-10 eV/Angstrom
Maximum stress component: 1.8073651337063852e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.14985130e-01 8.14985130e-01 0.00000000e+00]
 [6.85014870e-01 1.85014870e-01 1.67133397e-33]
 [1.85014870e-01 3.14985130e-01 0.00000000e+00]
 [8.14985130e-01 6.85014870e-01 8.11790785e-33]]
cellpar =  Cell([[6.306758224382108, -2.0633602335191325e-35, -4.901317604215844e-32], [-4.964005771747357e-34, 6.306758224382105, 1.985664686747867e-17], [4.670761900724414e-34, 1.0054657920548405e-17, 3.2265268023882285]])
forces =  [[-8.53488074e-10 -8.53488074e-10 -2.68718265e-27]
 [ 8.53488074e-10  8.53488074e-10  2.68718265e-27]
 [ 8.53488074e-10 -8.53488074e-10 -2.68718265e-27]
 [-8.53488074e-10  8.53488074e-10  2.68718265e-27]]
stress =  [-1.11136873e-10 -1.11136873e-10  1.80736513e-10  1.97905545e-27
 -8.04485002e-35  4.36219772e-51]
energy per atom =  -23.970111839902643
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0