element(s):
['Ta']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2656']
model name:
SNAP_ThompsonSwilerTrott_2015_Ta__MO_359768485367_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:20:05      -46.574219        0.0468
BFGS:    1 17:20:05      -46.574297        0.0309
BFGS:    2 17:20:05      -46.574357        0.0001
BFGS:    3 17:20:05      -46.574357        0.0000
BFGS:    4 17:20:05      -46.574357        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.151092714275889e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.60327123e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.267698138854857, 5.7764595624600875e-33, 1.5543345131962368e-32], [-4.813896274821413e-33, 4.267698138854857, -5.55588083282093e-22], [1.5106048783680297e-32, -5.555880832820915e-22, 4.267698138854857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15109271e-14 -1.15109271e-14 -1.15109271e-14 -2.71611999e-30
  1.10425112e-62 -1.17801558e-63]
energy per atom =  -3.269199320264807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0