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 17:44:58      -27.936662        3.4354
BFGS:    1 17:44:58      -28.248186        3.1891
BFGS:    2 17:44:58      -28.523028        2.7252
BFGS:    3 17:44:58      -28.738698        2.0234
BFGS:    4 17:44:58      -28.880518        1.0939
BFGS:    5 17:44:58      -28.941419        0.4815
BFGS:    6 17:44:58      -28.957342        0.5156
BFGS:    7 17:44:58      -29.035470        1.0064
BFGS:    8 17:44:58      -29.087829        1.6073
BFGS:    9 17:44:58      -29.131689        1.4314
BFGS:   10 17:44:58      -29.183622        0.2423
BFGS:   11 17:44:58      -29.184550        0.0709
BFGS:   12 17:44:58      -29.184745        0.0533
BFGS:   13 17:44:58      -29.184926        0.0123
BFGS:   14 17:44:58      -29.184933        0.0029
BFGS:   15 17:44:58      -29.184933        0.0002
BFGS:   16 17:44:58      -29.184933        0.0000
BFGS:   17 17:44:58      -29.184933        0.0000
BFGS:   18 17:44:58      -29.184933        0.0000
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.
Successfully added property instance for parameter set 0