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 17:58:47      -27.787994         2.259593
BFGS:    1 17:58:48      -27.919179         1.873230
BFGS:    2 17:58:48      -28.064256         1.227159
BFGS:    3 17:58:48      -28.146298         0.535783
BFGS:    4 17:58:48      -28.181002         0.466135
BFGS:    5 17:58:48      -28.201784         0.489670
BFGS:    6 17:58:48      -28.271465         0.915752
BFGS:    7 17:58:48      -28.330939         1.346685
BFGS:    8 17:58:48      -28.373844         1.501684
BFGS:    9 17:58:48      -28.415926         0.963521
BFGS:   10 17:58:48      -28.438177         0.252842
BFGS:   11 17:58:48      -28.440612         0.196904
BFGS:   12 17:58:48      -28.443872         0.120595
BFGS:   13 17:58:48      -28.444976         0.030500
BFGS:   14 17:58:48      -28.445081         0.009267
BFGS:   15 17:58:48      -28.445084         0.000793
BFGS:   16 17:58:48      -28.445084         0.000022
BFGS:   17 17:58:48      -28.445084         0.000001
BFGS:   18 17:58:48      -28.445084         0.000000
BFGS:   19 17:58:48      -28.445084         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.5899652057823897e-09 eV/Angstrom
Maximum stress component: 1.6354612553995915e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.31888584 0.81888584 0.        ]
 [0.68111416 0.18111416 0.        ]
 [0.18111416 0.31888584 0.        ]
 [0.81888584 0.68111416 0.        ]]
cellpar =  Cell([[5.24405216731799, -5.599397109814929e-35, -2.98677280266834e-34], [1.0565156175956519e-34, 5.244052167317993, -1.5476322840350772e-17], [-9.547639953871219e-34, -7.532434436962117e-18, 2.6003292294376608]])
forces =  [[-1.58996521e-09 -1.58996521e-09  4.69232888e-27]
 [ 1.58996521e-09  1.58996521e-09 -4.69232838e-27]
 [ 1.58996521e-09 -1.58996521e-09  4.69232838e-27]
 [-1.58996521e-09  1.58996521e-09 -4.69232888e-27]]
stress =  [-1.63546126e-10 -1.63546126e-10 -1.45134770e-10 -3.19597244e-26
 -3.44818938e-39 -7.59315767e-55]
energy per atom =  -7.111271045699197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0