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_ChenFangLiu_2019_WTa__MO_645806019892_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 15:07:25      -28.764573         1.924416
BFGS:    1 15:07:25      -28.824531         1.189327
BFGS:    2 15:07:26      -28.879842         0.477329
BFGS:    3 15:07:26      -28.898528         0.606956
BFGS:    4 15:07:26      -28.985698         1.032261
BFGS:    5 15:07:26      -29.087288         1.188111
BFGS:    6 15:07:26      -29.154284         1.287429
BFGS:    7 15:07:26      -29.174760         0.862659
BFGS:    8 15:07:26      -29.187920         0.510632
BFGS:    9 15:07:26      -29.192035         0.063539
BFGS:   10 15:07:27      -29.192118         0.004005
BFGS:   11 15:07:27      -29.192119         0.000555
BFGS:   12 15:07:27      -29.192119         0.000280
BFGS:   13 15:07:27      -29.192119         0.000002
BFGS:   14 15:07:27      -29.192119         0.000000
BFGS:   15 15:07:27      -29.192119         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.1822641450931652e-11 eV/Angstrom
Maximum stress component: 6.179019464923126e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.31510849 0.81510849 0.        ]
 [0.68489151 0.18489151 0.        ]
 [0.18489151 0.31510849 0.        ]
 [0.81510849 0.68489151 0.        ]]
cellpar =  Cell([[5.285027986132791, -4.895735853631704e-35, 2.522575190903548e-32], [-1.3472415286695575e-36, 5.285027986132789, 3.1856270601585894e-18], [-4.6712420315058185e-33, 1.6702854940999083e-18, 2.6899278842560506]])
forces =  [[ 1.18226415e-11  1.18226415e-11  7.12673180e-30]
 [-1.18226415e-11 -1.18226415e-11 -7.12523201e-30]
 [-1.18226415e-11  1.18226415e-11  7.12575007e-30]
 [ 1.18226415e-11 -1.18226415e-11 -7.12691571e-30]]
stress =  [-3.54851463e-12 -3.54851463e-12  6.17901946e-11 -9.97160298e-27
 -4.23352973e-37  7.09241012e-53]
energy per atom =  -7.298029683596903
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0