element(s):
['Ta']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3551']
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 =  229
cell =  [[3.3551, 0, 0], [0, 3.3551, 0], [0, 0, 3.3551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:10:46       -8.313588       230.559475
BFGS:    1 16:10:46      -35.529043       138.494468
BFGS:    2 16:10:46      -51.400050        77.348435
BFGS:    3 16:10:46      -59.772200        37.118674
BFGS:    4 16:10:46      -63.105011        12.710042
BFGS:    5 16:10:46      -63.678741         3.512187
BFGS:    6 16:10:46      -63.733001         0.474673
BFGS:    7 16:10:47      -63.734070         0.023115
BFGS:    8 16:10:47      -63.734072         0.000163
BFGS:    9 16:10:47      -63.734072         0.000000
BFGS:   10 16:10:47      -63.734072         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1124407502102283e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.742339262990382, -5.9904174431509894e-33, -5.6583276549154614e-33], [-1.076145339224305e-32, 3.742339262990382, 4.170070960049181e-18], [2.8904735614934473e-33, 4.170070960049178e-18, 3.742339262990382]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.11244075e-15 -3.11244075e-15 -3.11244075e-15 -1.25666136e-31
 -1.17347241e-33 -3.28824078e-50]
energy per atom =  -31.867036067139942
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0