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_CuTa__MO_547744193826_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 15:06:09      -27.936662         3.435449
BFGS:    1 15:06:10      -28.248186         3.189069
BFGS:    2 15:06:10      -28.523028         2.725157
BFGS:    3 15:06:10      -28.738698         2.023352
BFGS:    4 15:06:10      -28.880518         1.093910
BFGS:    5 15:06:10      -28.941419         0.481536
BFGS:    6 15:06:10      -28.957342         0.515606
BFGS:    7 15:06:10      -29.035470         1.006357
BFGS:    8 15:06:10      -29.087829         1.607304
BFGS:    9 15:06:10      -29.131689         1.431444
BFGS:   10 15:06:10      -29.183622         0.242294
BFGS:   11 15:06:10      -29.184550         0.070941
BFGS:   12 15:06:11      -29.184745         0.053253
BFGS:   13 15:06:11      -29.184926         0.012341
BFGS:   14 15:06:11      -29.184933         0.002906
BFGS:   15 15:06:11      -29.184933         0.000171
BFGS:   16 15:06:11      -29.184933         0.000004
BFGS:   17 15:06:11      -29.184933         0.000000
BFGS:   18 15:06:11      -29.184933         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.1301456174266396e-10 eV/Angstrom
Maximum stress component: 4.810829294779412e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.12627085e-01 8.12627085e-01 6.02537468e-34]
 [6.87372915e-01 1.87372915e-01 0.00000000e+00]
 [1.87372915e-01 3.12627085e-01 0.00000000e+00]
 [8.12627085e-01 6.87372915e-01 0.00000000e+00]]
cellpar =  Cell([[5.152513979924165, -2.3965647230833717e-35, 9.252321085386173e-33], [-7.00797590955656e-36, 5.152513979924165, -3.692432953001282e-18], [2.9120248345153513e-32, -1.8749529873643105e-18, 2.5570923593286334]])
forces =  [[-2.13014562e-10 -2.13014562e-10  1.52652082e-28]
 [ 2.13014562e-10  2.13014562e-10 -1.52652082e-28]
 [ 2.13014562e-10 -2.13014562e-10  1.52652082e-28]
 [-2.13014562e-10  2.13014562e-10 -1.52652082e-28]]
stress =  [-2.42109888e-11 -2.42109888e-11 -4.81082929e-11  5.25560568e-27
 -1.16940482e-34 -9.65798171e-53]
energy per atom =  -7.296234071805222
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.