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_ThompsonSwilerTrott_2015_Ta__MO_359768485367_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 17:00:28      -42.198071         1.670842
BFGS:    1 17:00:28      -42.365826         1.558234
BFGS:    2 17:00:28      -42.664238         1.279691
BFGS:    3 17:00:28      -42.892470         0.957316
BFGS:    4 17:00:28      -43.039462         0.489675
BFGS:    5 17:00:28      -43.088527         0.483640
BFGS:    6 17:00:28      -43.095371         0.369833
BFGS:    7 17:00:28      -43.109507         0.094249
BFGS:    8 17:00:28      -43.109904         0.090700
BFGS:    9 17:00:28      -43.110233         0.061017
BFGS:   10 17:00:28      -43.110417         0.024772
BFGS:   11 17:00:28      -43.110476         0.004708
BFGS:   12 17:00:28      -43.110480         0.000572
BFGS:   13 17:00:28      -43.110480         0.000091
BFGS:   14 17:00:28      -43.110480         0.000004
BFGS:   15 17:00:28      -43.110480         0.000000
BFGS:   16 17:00:28      -43.110480         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.6003822617739375e-10 eV/Angstrom
Maximum stress component: 1.70089128683641e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.19191724e-01 8.19191724e-01 2.77463736e-34]
 [6.80808276e-01 1.80808276e-01 1.38731868e-34]
 [1.80808276e-01 3.19191724e-01 0.00000000e+00]
 [8.19191724e-01 6.80808276e-01 0.00000000e+00]]
cellpar =  Cell([[5.314712497440459, 3.6558418950980087e-35, -7.684455797100937e-33], [1.2273889177257602e-36, 5.314712497440458, 5.11395741713158e-18], [4.63816533565877e-33, 2.5690716592614812e-18, 2.7764780715472863]])
forces =  [[ 2.60038226e-10  2.60038226e-10  2.50213013e-28]
 [-2.60038226e-10 -2.60038226e-10 -2.50213544e-28]
 [-2.60038226e-10  2.60038226e-10  2.50215683e-28]
 [ 2.60038226e-10 -2.60038226e-10 -2.50215683e-28]]
stress =  [ 1.70089129e-11  1.70089129e-11 -1.59531400e-11 -1.76790921e-27
 -2.08826901e-34 -2.52630305e-50]
energy per atom =  -2.40323005468667
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0