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 15:05:21      195.168892       465.551928
BFGS:    1 15:05:21      133.963493       375.956876
BFGS:    2 15:05:22      115.224378       372.246957
BFGS:    3 15:05:22       75.550473       294.819153
BFGS:    4 15:05:22       38.354095       245.259528
BFGS:    5 15:05:22       13.198680       202.450164
BFGS:    6 15:05:22      -13.801224       163.494525
BFGS:    7 15:05:23      -35.542325       129.065415
BFGS:    8 15:05:23      -52.593473       100.697530
BFGS:    9 15:05:23      -65.788127        77.442402
BFGS:   10 15:05:23      -75.840105        58.362614
BFGS:   11 15:05:24      -83.314929        42.674155
BFGS:   12 15:05:24      -88.683182        29.951494
BFGS:   13 15:05:24      -92.330822        19.450828
BFGS:   14 15:05:24      -94.569995        10.959809
BFGS:   15 15:05:24      -95.669626         4.138712
BFGS:   16 15:05:25      -95.874705         0.703114
BFGS:   17 15:05:25      -95.880299         0.113528
BFGS:   18 15:05:25      -95.880355         0.124537
BFGS:   19 15:05:25      -95.880378         0.118027
BFGS:   20 15:05:25      -95.880429         0.063479
BFGS:   21 15:05:26      -95.880444         0.019002
BFGS:   22 15:05:26      -95.880447         0.002788
BFGS:   23 15:05:26      -95.880447         0.000333
BFGS:   24 15:05:26      -95.880447         0.000032
BFGS:   25 15:05:26      -95.880447         0.000008
BFGS:   26 15:05:27      -95.880447         0.000001
BFGS:   27 15:05:27      -95.880447         0.000000
BFGS:   28 15:05:27      -95.880447         0.000000
BFGS:   29 15:05:27      -95.880447         0.000000
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.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.