element(s):
['Ta']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2656']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:02      -60.029350       172.924556
BFGS:    1 15:33:02      -82.765308       131.646844
BFGS:    2 15:33:02      -99.912028        98.152820
BFGS:    3 15:33:02     -112.531259        71.236488
BFGS:    4 15:33:02     -121.516589        49.354385
BFGS:    5 15:33:02     -127.551184        31.750253
BFGS:    6 15:33:02     -131.216424        17.646001
BFGS:    7 15:33:02     -132.987969         6.405269
BFGS:    8 15:33:02     -133.302639         1.077013
BFGS:    9 15:33:02     -133.312635         0.084707
BFGS:   10 15:33:03     -133.312699         0.001259
BFGS:   11 15:33:03     -133.312699         0.000002
BFGS:   12 15:33:03     -133.312699         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1525916305947586e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.64753847e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.29507694e-34]]
cellpar =  Cell([[4.67589674939399, 1.7038964102346352e-32, -4.121823932297458e-33], [1.914672372693582e-32, 4.67589674939399, 1.0553083198880603e-17], [1.1031707843492317e-33, 1.05530831988806e-17, 4.67589674939399]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15259163e-12 -1.15259163e-12 -1.15259163e-12  6.54491702e-29
 -6.01338982e-33  4.00415634e-49]
energy per atom =  -33.328174631407
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0