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:
EAM_Dynamo_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_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 09:57:46      -27.787994         2.259593
BFGS:    1 09:57:46      -27.919179         1.873230
BFGS:    2 09:57:46      -28.064256         1.227159
BFGS:    3 09:57:46      -28.146298         0.535783
BFGS:    4 09:57:46      -28.181002         0.466135
BFGS:    5 09:57:46      -28.201784         0.489670
BFGS:    6 09:57:46      -28.271465         0.915752
BFGS:    7 09:57:46      -28.330939         1.346685
BFGS:    8 09:57:46      -28.373844         1.501684
BFGS:    9 09:57:46      -28.415926         0.963521
BFGS:   10 09:57:46      -28.438177         0.252842
BFGS:   11 09:57:46      -28.440612         0.196904
BFGS:   12 09:57:46      -28.443872         0.120595
BFGS:   13 09:57:46      -28.444976         0.030500
BFGS:   14 09:57:46      -28.445081         0.009267
BFGS:   15 09:57:46      -28.445084         0.000793
BFGS:   16 09:57:46      -28.445084         0.000022
BFGS:   17 09:57:46      -28.445084         0.000001
BFGS:   18 09:57:46      -28.445084         0.000000
BFGS:   19 09:57:46      -28.445084         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.589962695497043e-09 eV/Angstrom
Maximum stress component: 1.6354419081290468e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.18885838e-01 8.18885838e-01 0.00000000e+00]
 [6.81114162e-01 1.81114162e-01 1.11097275e-34]
 [1.81114162e-01 3.18885838e-01 3.70324250e-35]
 [8.18885838e-01 6.81114162e-01 2.22194550e-34]]
cellpar =  Cell([[5.244052167317994, -9.73376582380805e-36, 1.4823747816237774e-32], [1.311330576850777e-35, 5.244052167317993, 2.1816735061238713e-18], [-5.76333899461718e-37, 1.05086395382593e-18, 2.600329229437664]])
forces =  [[-1.58996270e-09 -1.58996270e-09 -6.61469293e-28]
 [ 1.58996270e-09  1.58996270e-09  6.61469290e-28]
 [ 1.58996270e-09 -1.58996270e-09 -6.61469298e-28]
 [-1.58996270e-09  1.58996270e-09  6.61469295e-28]]
stress =  [-1.63544191e-10 -1.63544191e-10 -1.45130587e-10 -1.34987498e-26
 -1.29305344e-39 -2.84739810e-55]
energy per atom =  -7.1112710456992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0