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:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 17:46:27        6.919156        1.8011
BFGS:    1 17:46:27        6.847038        1.6416
BFGS:    2 17:46:27        6.736559        1.2784
BFGS:    3 17:46:27        6.659189        0.8322
BFGS:    4 17:46:27        6.610098        0.3926
BFGS:    5 17:46:27        6.581844        0.5428
BFGS:    6 17:46:27        6.562200        0.5026
BFGS:    7 17:46:27        6.504228        0.7883
BFGS:    8 17:46:27        6.462756        0.8581
BFGS:    9 17:46:27        6.436467        0.6071
BFGS:   10 17:46:27        6.421721        0.5361
BFGS:   11 17:46:27        6.396962        0.4897
BFGS:   12 17:46:27        6.377871        0.3169
BFGS:   13 17:46:27        6.372811        0.1583
BFGS:   14 17:46:27        6.372173        0.0335
BFGS:   15 17:46:27        6.371723        0.0176
BFGS:   16 17:46:27        6.371710        0.0020
BFGS:   17 17:46:27        6.371709        0.0000
BFGS:   18 17:46:27        6.371709        0.0000
BFGS:   19 17:46:27        6.371709        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.6381558626960013e-09 eV/Angstrom
Maximum stress component: 4.98042046794802e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.25542699e-01 8.25542699e-01 0.00000000e+00]
 [6.74457301e-01 1.74457301e-01 0.00000000e+00]
 [1.74457301e-01 3.25542699e-01 5.98093535e-34]
 [8.25542699e-01 6.74457301e-01 2.39237414e-33]]
cellpar =  Cell([[5.352862692145103, 4.426520303867269e-35, -1.4192589254663888e-32], [-7.372448209932349e-36, 5.352862692145105, -2.652452887606242e-17], [2.326229303875818e-32, -1.3017112372393791e-17, 2.576091974900655]])
forces =  [[ 1.63815586e-09  1.63815586e-09 -8.11739972e-27]
 [-1.63815586e-09 -1.63815586e-09  8.11740114e-27]
 [-1.63815586e-09  1.63815586e-09 -8.11740114e-27]
 [ 1.63815586e-09 -1.63815586e-09  8.11739875e-27]]
stress =  [ 2.57050245e-10  2.57050245e-10  4.98042047e-10 -1.42986794e-25
 -4.46933591e-34  2.38796792e-50]
energy per atom =  -6.450397111811788
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0