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:
SNAP_ThompsonSwilerTrott_2015_Ta__MO_359768485367_000
==== 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 17:46:27      -42.198071        1.6708
BFGS:    1 17:46:27      -42.365826        1.5582
BFGS:    2 17:46:27      -42.664238        1.2797
BFGS:    3 17:46:27      -42.892470        0.9573
BFGS:    4 17:46:27      -43.039462        0.4897
BFGS:    5 17:46:27      -43.088527        0.4836
BFGS:    6 17:46:27      -43.095371        0.3698
BFGS:    7 17:46:27      -43.109507        0.0942
BFGS:    8 17:46:27      -43.109904        0.0907
BFGS:    9 17:46:27      -43.110233        0.0610
BFGS:   10 17:46:27      -43.110417        0.0248
BFGS:   11 17:46:27      -43.110476        0.0047
BFGS:   12 17:46:27      -43.110480        0.0006
BFGS:   13 17:46:27      -43.110480        0.0001
BFGS:   14 17:46:27      -43.110480        0.0000
BFGS:   15 17:46:27      -43.110480        0.0000
BFGS:   16 17:46:27      -43.110480        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.600356361695989e-10 eV/Angstrom
Maximum stress component: 1.7007822191855804e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.19191724e-01 8.19191724e-01 0.00000000e+00]
 [6.80808276e-01 1.80808276e-01 4.85561537e-34]
 [1.80808276e-01 3.19191724e-01 5.54927471e-34]
 [8.19191724e-01 6.80808276e-01 8.32391207e-34]]
cellpar =  Cell([[5.314712497440456, -3.12793399037944e-35, -4.612692393898651e-33], [-2.4003635881877807e-35, 5.314712497440457, 7.858024312268243e-18], [-1.5477083613133395e-32, 3.978706518003738e-18, 2.776478071547286]])
forces =  [[ 2.60035636e-10  2.60035636e-10  3.84476753e-28]
 [-2.60035636e-10 -2.60035636e-10 -3.84467018e-28]
 [-2.60035636e-10  2.60035636e-10  3.84471405e-28]
 [ 2.60035636e-10 -2.60035636e-10 -3.84472403e-28]]
stress =  [ 1.70078222e-11  1.70078222e-11 -1.59535420e-11 -1.17048827e-28
  1.19078319e-43 -1.32274861e-59]
energy per atom =  -2.4032300546866576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0