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 17:58:49      -27.936662         3.435449
BFGS:    1 17:58:49      -28.248186         3.189069
BFGS:    2 17:58:49      -28.523028         2.725157
BFGS:    3 17:58:49      -28.738698         2.023352
BFGS:    4 17:58:49      -28.880518         1.093910
BFGS:    5 17:58:49      -28.941419         0.481536
BFGS:    6 17:58:49      -28.957342         0.515606
BFGS:    7 17:58:49      -29.035470         1.006357
BFGS:    8 17:58:49      -29.087829         1.607304
BFGS:    9 17:58:49      -29.131689         1.431444
BFGS:   10 17:58:49      -29.183622         0.242294
BFGS:   11 17:58:49      -29.184550         0.070941
BFGS:   12 17:58:49      -29.184745         0.053253
BFGS:   13 17:58:49      -29.184926         0.012341
BFGS:   14 17:58:49      -29.184933         0.002906
BFGS:   15 17:58:49      -29.184933         0.000171
BFGS:   16 17:58:49      -29.184933         0.000004
BFGS:   17 17:58:49      -29.184933         0.000000
BFGS:   18 17:58:49      -29.184933         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.130165172903765e-10 eV/Angstrom
Maximum stress component: 4.8107209287301314e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.12627085e-01 8.12627085e-01 0.00000000e+00]
 [6.87372915e-01 1.87372915e-01 2.25951550e-34]
 [1.87372915e-01 3.12627085e-01 0.00000000e+00]
 [8.12627085e-01 6.87372915e-01 0.00000000e+00]]
cellpar =  Cell([[5.152513979924163, -3.5194956704308723e-35, 2.5642840029301125e-36], [-4.623083119964719e-35, 5.152513979924163, -7.318720021269546e-18], [-2.210246095260865e-34, -3.659278253313574e-18, 2.5570923593286343]])
forces =  [[-2.13016517e-10 -2.13016517e-10  3.02572347e-28]
 [ 2.13016517e-10  2.13016517e-10 -3.02572347e-28]
 [ 2.13016517e-10 -2.13016517e-10  3.02572347e-28]
 [-2.13016517e-10  2.13016517e-10 -3.02572347e-28]]
stress =  [-2.42118349e-11 -2.42118349e-11 -4.81072093e-11  5.26094965e-27
 -8.77053614e-35  9.66481630e-51]
energy per atom =  -7.296234071805225
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0