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 17:00:08      -27.676466         0.646569
BFGS:    1 17:00:08      -27.714877         0.624022
BFGS:    2 17:00:08      -27.859963         0.468774
BFGS:    3 17:00:08      -28.041771         1.478752
BFGS:    4 17:00:08      -28.109707         0.852820
BFGS:    5 17:00:08      -28.135955         0.695456
BFGS:    6 17:00:08      -28.200909         0.124708
BFGS:    7 17:00:08      -28.203851         0.087279
BFGS:    8 17:00:08      -28.205791         0.073411
BFGS:    9 17:00:08      -28.206451         0.037697
BFGS:   10 17:00:08      -28.206553         0.010772
BFGS:   11 17:00:08      -28.206561         0.013031
BFGS:   12 17:00:08      -28.206566         0.012781
BFGS:   13 17:00:08      -28.206575         0.008524
BFGS:   14 17:00:08      -28.206579         0.003144
BFGS:   15 17:00:08      -28.206580         0.000619
BFGS:   16 17:00:08      -28.206580         0.000069
BFGS:   17 17:00:08      -28.206580         0.000008
BFGS:   18 17:00:08      -28.206580         0.000000
BFGS:   19 17:00:08      -28.206580         0.000000
Minimization converged after 19 steps.
Maximum force component: 8.533143523378753e-10 eV/Angstrom
Maximum stress component: 1.8374436334146563e-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 8.92604898e-35]
 [1.83345583e-01 3.16654417e-01 0.00000000e+00]
 [8.16654417e-01 6.83345583e-01 0.00000000e+00]]
cellpar =  Cell([[5.319956498038863, -2.0420492525037844e-35, 4.5578767389511684e-33], [-9.71517574350186e-36, 5.319956498038864, -7.092391791638688e-19], [-1.450439503706794e-32, -3.6163061012687123e-19, 2.697063880239137]])
forces =  [[-8.53314352e-10 -8.53314352e-10  1.13761595e-28]
 [ 8.53314352e-10  8.53314352e-10 -1.13761075e-28]
 [ 8.53314352e-10 -8.53314352e-10  1.13762114e-28]
 [-8.53314352e-10  8.53314352e-10 -1.13761075e-28]]
stress =  [ 1.83744363e-10  1.83744363e-10  1.05446742e-10  7.40754798e-27
  8.42399183e-43 -9.48399731e-59]
energy per atom =  -7.051645019388882
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0