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_LiSiegelAdams_2003_Ta__MO_103054252769_005
==== 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 09:57:57      -26.966771         2.849040
BFGS:    1 09:57:57      -27.146176         2.205620
BFGS:    2 09:57:57      -27.258733         0.895629
BFGS:    3 09:57:57      -27.315629         0.588829
BFGS:    4 09:57:57      -27.210760         2.425696
BFGS:    5 09:57:57      -27.328311         0.411946
BFGS:    6 09:57:57      -27.335099         0.245045
BFGS:    7 09:57:57      -27.346166         0.253920
BFGS:    8 09:57:57      -27.353101         0.101931
BFGS:    9 09:57:57      -27.353766         0.069865
BFGS:   10 09:57:57      -27.353877         0.033152
BFGS:   11 09:57:57      -27.353958         0.028031
BFGS:   12 09:57:57      -27.353974         0.010005
BFGS:   13 09:57:57      -27.353975         0.001235
BFGS:   14 09:57:57      -27.353976         0.000086
BFGS:   15 09:57:57      -27.353976         0.000001
BFGS:   16 09:57:57      -27.353976         0.000000
BFGS:   17 09:57:57      -27.353976         0.000000
BFGS:   18 09:57:57      -27.353976         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8843137900709242e-10 eV/Angstrom
Maximum stress component: 7.43669091663475e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[2.97344042e-01 7.97344042e-01 4.66897706e-33]
 [7.02655958e-01 2.02655958e-01 5.83622132e-34]
 [2.02655958e-01 2.97344042e-01 1.16724426e-33]
 [7.97344042e-01 7.02655958e-01 3.50173279e-33]]
cellpar =  Cell([[5.281134942641591, -7.319925766684996e-36, 4.974932369600829e-33], [-5.95026127472119e-35, 5.281134942641592, -2.3970948955617368e-17], [8.991224692885613e-33, -1.196737350594181e-17, 2.6399683466989554]])
forces =  [[-1.88431379e-10 -1.88431379e-10  8.55285202e-28]
 [ 1.88431379e-10  1.88431379e-10 -8.55287691e-28]
 [ 1.88431379e-10 -1.88431379e-10  8.55288707e-28]
 [-1.88431379e-10  1.88431379e-10 -8.55285283e-28]]
stress =  [-3.18567715e-11 -3.18567715e-11 -7.43669092e-11 -1.23887255e-26
  4.52069211e-44  7.60447132e-60]
energy per atom =  -6.838493875075126
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0