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:
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 =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:58      -31.436957         0.110931
BFGS:    1 15:33:58      -31.437357         0.056977
BFGS:    2 15:33:58      -31.437494         0.002859
BFGS:    3 15:33:58      -31.437494         0.000067
BFGS:    4 15:33:58      -31.437494         0.000000
BFGS:    5 15:33:58      -31.437494         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0461954136104108e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.01044589e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.50712929e-39]]
cellpar =  Cell([[4.268991300402715, 1.6806028316322653e-33, 3.8741255751065733e-35], [1.1994531777154545e-33, 4.268991300402715, -6.254649955886996e-23], [5.105948571628484e-33, -6.25464995636824e-23, 4.268991300402715]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.04619541e-13  1.04619541e-13  1.04619541e-13 -6.04912413e-29
 -1.55479995e-62 -7.95300950e-64]
energy per atom =  -7.859373605582558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0