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_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== 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 16:24:05      -16.134177         0.958462
BFGS:    1 16:24:05      -16.165348         0.554458
BFGS:    2 16:24:05      -16.179898         0.047729
BFGS:    3 16:24:05      -16.180000         0.002094
BFGS:    4 16:24:05      -16.180000         0.000007
BFGS:    5 16:24:05      -16.180000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.314322022181397e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.303000005973743, -1.7270881237298618e-32, 2.323594880470548e-33], [-2.3492301084417914e-32, 3.303000005973743, 1.1091881972781564e-18], [-4.762481855453146e-33, 1.1091881972781548e-18, 3.303000005973743]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.31432202e-11 -6.31432202e-11 -6.31432202e-11 -1.27724305e-27
 -1.25944421e-58 -1.74409594e-58]
energy per atom =  -8.09000000062664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0