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:
MEAM_LAMMPS_LeeBaskesKim_2001_Ta__MO_644143102837_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 17:45:11      -27.676466        0.6466
BFGS:    1 17:45:11      -27.714877        0.6240
BFGS:    2 17:45:11      -27.859963        0.4688
BFGS:    3 17:45:11      -28.041771        1.4788
BFGS:    4 17:45:11      -28.109707        0.8528
BFGS:    5 17:45:11      -28.135955        0.6955
BFGS:    6 17:45:11      -28.200909        0.1247
BFGS:    7 17:45:11      -28.203851        0.0873
BFGS:    8 17:45:11      -28.205791        0.0734
BFGS:    9 17:45:11      -28.206451        0.0377
BFGS:   10 17:45:11      -28.206553        0.0108
BFGS:   11 17:45:11      -28.206561        0.0130
BFGS:   12 17:45:11      -28.206566        0.0128
BFGS:   13 17:45:11      -28.206575        0.0085
BFGS:   14 17:45:11      -28.206579        0.0031
BFGS:   15 17:45:11      -28.206580        0.0006
BFGS:   16 17:45:11      -28.206580        0.0001
BFGS:   17 17:45:11      -28.206580        0.0000
BFGS:   18 17:45:11      -28.206580        0.0000
BFGS:   19 17:45:11      -28.206580        0.0000
Minimization converged after 19 steps.
Maximum force component: 8.533178798980636e-10 eV/Angstrom
Maximum stress component: 1.8374297941942058e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.16654417e-01 8.16654417e-01 0.00000000e+00]
 [6.83345583e-01 1.83345583e-01 1.07112588e-34]
 [1.83345583e-01 3.16654417e-01 0.00000000e+00]
 [8.16654417e-01 6.83345583e-01 2.85633567e-34]]
cellpar =  Cell([[5.31995649803886, -1.6494367457837883e-35, -1.828227707766751e-32], [6.96773654854549e-36, 5.319956498038861, 3.4110397752698064e-18], [-1.9701641333532846e-32, 1.7210256022808145e-18, 2.697063880239136]])
forces =  [[-8.53317880e-10 -8.53317880e-10 -5.47128878e-28]
 [ 8.53317880e-10  8.53317880e-10  5.47128765e-28]
 [ 8.53317880e-10 -8.53317880e-10 -5.47128765e-28]
 [-8.53317880e-10  8.53317880e-10  5.47128765e-28]]
stress =  [ 1.83742979e-10  1.83742979e-10  1.05445554e-10 -3.37421179e-26
  1.07381920e-34  6.04400124e-51]
energy per atom =  -7.051645019388884
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0