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:
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Ta__SM_907764821792_000
==== 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 18:10:09      -16.127171        0.6772
BFGS:    1 18:10:09      -16.142084        0.3454
BFGS:    2 18:10:09      -16.146881        0.0302
BFGS:    3 18:10:09      -16.146920        0.0023
BFGS:    4 18:10:09      -16.146920        0.0001
BFGS:    5 18:10:09      -16.146920        0.0000
BFGS:    6 18:10:09      -16.146920        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.469047653052597e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.323440742177515, 1.9773208190351102e-32, 4.157124894965547e-33], [1.4896275628325446e-32, 3.323440742177515, -4.2104160153706445e-18], [-1.0974209531578275e-32, -4.210416015370641e-18, 3.323440742177515]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.46904765e-12  8.46904765e-12  8.46904765e-12 -1.39314196e-27
 -2.14462270e-59  2.31947189e-60]
energy per atom =  -8.073460083930222
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0