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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 14:45:53      -27.936666         3.435432
BFGS:    1 14:45:53      -28.248179         3.189904
BFGS:    2 14:45:53      -28.523023         2.725485
BFGS:    3 14:45:53      -28.738678         2.023159
BFGS:    4 14:45:53      -28.880513         1.093359
BFGS:    5 14:45:54      -28.941418         0.481569
BFGS:    6 14:45:54      -28.957340         0.515615
BFGS:    7 14:45:54      -29.035508         1.006367
BFGS:    8 14:45:54      -29.087914         1.606072
BFGS:    9 14:45:54      -29.131707         1.431741
BFGS:   10 14:45:54      -29.183574         0.246687
BFGS:   11 14:45:54      -29.184545         0.072177
BFGS:   12 14:45:54      -29.184743         0.053521
BFGS:   13 14:45:54      -29.184926         0.012518
BFGS:   14 14:45:54      -29.184933         0.002782
BFGS:   15 14:45:54      -29.184933         0.000173
BFGS:   16 14:45:54      -29.184933         0.000004
BFGS:   17 14:45:54      -29.184933         0.000000
BFGS:   18 14:45:54      -29.184933         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.442570923137032e-11 eV/Angstrom
Maximum stress component: 6.29334646117729e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.12623541e-01 8.12623541e-01 0.00000000e+00]
 [6.87376459e-01 1.87376459e-01 9.03803915e-34]
 [1.87376459e-01 3.12623541e-01 1.20507189e-33]
 [8.12623541e-01 6.87376459e-01 0.00000000e+00]]
cellpar =  Cell([[5.152532318116473, -1.7968782090233736e-35, -2.818271815597453e-35], [3.704357497944237e-35, 5.1525323181164735, -2.3553296077638163e-17], [-1.4995362754114128e-32, -1.1663280661027241e-17, 2.5570988283831757]])
forces =  [[-8.44257092e-11 -8.44257092e-11  3.85929433e-28]
 [ 8.44257092e-11  8.44257092e-11 -3.85928694e-28]
 [ 8.44257092e-11 -8.44257092e-11  3.85928448e-28]
 [-8.44257092e-11  8.44257092e-11 -3.85927463e-28]]
stress =  [-3.61688352e-11 -3.61688352e-11 -6.29334646e-11 -4.12772944e-27
 -1.46174714e-35 -1.20740616e-53]
energy per atom =  -7.296233364248748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0