element(s):
['Ta']
AFLOW prototype label:
A_tP4_127_g
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3819', '0.50872368', '0.28968096']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0.28968096 0.78968096 0.        ]]
spacegroup =  127
cell =  [[5.3819, 0, 0], [0, 5.3819, 0], [0, 0, 2.7379]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:59:30      -31.775659         0.287121
BFGS:    1 16:59:30      -31.778157         0.228026
BFGS:    2 16:59:30      -31.782311         0.038690
BFGS:    3 16:59:30      -31.782340         0.037608
BFGS:    4 16:59:30      -31.782424         0.018750
BFGS:    5 16:59:30      -31.782440         0.005350
BFGS:    6 16:59:30      -31.782443         0.001359
BFGS:    7 16:59:30      -31.782443         0.001481
BFGS:    8 16:59:30      -31.782443         0.001621
BFGS:    9 16:59:30      -31.782444         0.001991
BFGS:   10 16:59:30      -31.782446         0.003810
BFGS:   11 16:59:30      -31.782449         0.004978
BFGS:   12 16:59:30      -31.782452         0.003880
BFGS:   13 16:59:30      -31.782454         0.001416
BFGS:   14 16:59:30      -31.782454         0.000166
BFGS:   15 16:59:30      -31.782454         0.000005
BFGS:   16 16:59:30      -31.782454         0.000001
BFGS:   17 16:59:30      -31.782454         0.000000
BFGS:   18 16:59:30      -31.782454         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8950813140961034e-13 eV/Angstrom
Maximum stress component: 1.621311138707834e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.29066326 0.79066326 0.        ]
 [0.70933674 0.20933674 0.        ]
 [0.20933674 0.29066326 0.        ]
 [0.79066326 0.70933674 0.        ]]
cellpar =  Cell([[5.409106854169712, 1.1271116377262438e-36, -4.498026073943544e-33], [-5.157556137000113e-37, 5.409106854169712, -1.755548202431487e-19], [-4.9817612065234934e-33, -8.870435318445029e-20, 2.7406316326013833]])
forces =  [[ 1.89508131e-13  1.89508131e-13 -6.15056549e-33]
 [-1.89508131e-13 -1.89508131e-13  6.15056549e-33]
 [-1.89508131e-13  1.89508131e-13 -6.15056549e-33]
 [ 1.89508131e-13 -1.89508131e-13  6.15056549e-33]]
stress =  [1.62131114e-11 1.62131114e-11 2.95843547e-12 2.63210147e-27
 2.80907275e-44 7.90044040e-60]
energy per atom =  -7.945613423221049
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0