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 17:44:53      195.168892      465.5519
BFGS:    1 17:44:53      133.963493      375.9569
BFGS:    2 17:44:53      115.224378      372.2470
BFGS:    3 17:44:53       75.550473      294.8192
BFGS:    4 17:44:53       38.354095      245.2595
BFGS:    5 17:44:53       13.198680      202.4502
BFGS:    6 17:44:53      -13.801224      163.4945
BFGS:    7 17:44:53      -35.542325      129.0654
BFGS:    8 17:44:53      -52.593473      100.6975
BFGS:    9 17:44:53      -65.788127       77.4424
BFGS:   10 17:44:53      -75.840105       58.3626
BFGS:   11 17:44:53      -83.314929       42.6742
BFGS:   12 17:44:53      -88.683182       29.9515
BFGS:   13 17:44:53      -92.330822       19.4508
BFGS:   14 17:44:53      -94.569995       10.9598
BFGS:   15 17:44:53      -95.669626        4.1387
BFGS:   16 17:44:53      -95.874705        0.7031
BFGS:   17 17:44:53      -95.880299        0.1135
BFGS:   18 17:44:53      -95.880355        0.1245
BFGS:   19 17:44:53      -95.880378        0.1180
BFGS:   20 17:44:53      -95.880429        0.0635
BFGS:   21 17:44:53      -95.880444        0.0190
BFGS:   22 17:44:53      -95.880447        0.0028
BFGS:   23 17:44:53      -95.880447        0.0003
BFGS:   24 17:44:53      -95.880447        0.0000
BFGS:   25 17:44:53      -95.880447        0.0000
BFGS:   26 17:44:53      -95.880447        0.0000
BFGS:   27 17:44:53      -95.880447        0.0000
BFGS:   28 17:44:53      -95.880447        0.0000
BFGS:   29 17:44:53      -95.880447        0.0000
Minimization converged after 29 steps.
Maximum force component: 8.53498029155663e-10 eV/Angstrom
Maximum stress component: 1.8072858633806634e-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 7.16285986e-34]
 [1.85014870e-01 3.14985130e-01 0.00000000e+00]
 [8.14985130e-01 6.85014870e-01 1.43257197e-33]]
cellpar =  Cell([[6.306758224382105, -1.7589908379932104e-33, -2.663721807428471e-32], [1.8355833577455555e-35, 6.306758224382104, 7.074369626635667e-18], [5.774019069389107e-32, 3.638950283048642e-18, 3.226526802388227]])
forces =  [[-8.53498029e-10 -8.53498029e-10 -9.57381906e-28]
 [ 8.53498029e-10  8.53498029e-10  9.57379420e-28]
 [ 8.53498029e-10 -8.53498029e-10 -9.57379420e-28]
 [-8.53498029e-10  8.53498029e-10  9.57381906e-28]]
stress =  [-1.11143214e-10 -1.11143214e-10  1.80728586e-10  3.49439218e-26
  3.78581206e-35  2.15029663e-51]
energy per atom =  -23.970111839902636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0