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 09:58:18      -42.198071         1.670842
BFGS:    1 09:58:18      -42.365826         1.558234
BFGS:    2 09:58:18      -42.664238         1.279691
BFGS:    3 09:58:18      -42.892470         0.957316
BFGS:    4 09:58:18      -43.039462         0.489675
BFGS:    5 09:58:18      -43.088527         0.483640
BFGS:    6 09:58:18      -43.095371         0.369833
BFGS:    7 09:58:18      -43.109507         0.094249
BFGS:    8 09:58:18      -43.109904         0.090700
BFGS:    9 09:58:18      -43.110233         0.061017
BFGS:   10 09:58:18      -43.110417         0.024772
BFGS:   11 09:58:18      -43.110476         0.004708
BFGS:   12 09:58:18      -43.110480         0.000572
BFGS:   13 09:58:18      -43.110480         0.000091
BFGS:   14 09:58:18      -43.110480         0.000004
BFGS:   15 09:58:18      -43.110480         0.000000
BFGS:   16 09:58:18      -43.110480         0.000000
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