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:
MEAM_LAMMPS_ParkFellingerLenosky_2012_Ta__MO_105449194206_002
==== 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 17:46:11      -28.504183        0.7705
BFGS:    1 17:46:11      -28.523368        0.8172
BFGS:    2 17:46:11      -28.625478        0.8109
BFGS:    3 17:46:11      -28.717858        0.5914
BFGS:    4 17:46:11      -28.758368        0.1437
BFGS:    5 17:46:11      -28.759750        0.1387
BFGS:    6 17:46:11      -28.766036        0.1291
BFGS:    7 17:46:11      -28.773926        0.1838
BFGS:    8 17:46:11      -28.778586        0.1320
BFGS:    9 17:46:11      -28.779619        0.0910
BFGS:   10 17:46:11      -28.780077        0.1085
BFGS:   11 17:46:11      -28.780508        0.0953
BFGS:   12 17:46:11      -28.780962        0.0442
BFGS:   13 17:46:11      -28.781079        0.0136
BFGS:   14 17:46:11      -28.781093        0.0021
BFGS:   15 17:46:11      -28.781094        0.0001
BFGS:   16 17:46:11      -28.781094        0.0000
BFGS:   17 17:46:11      -28.781094        0.0000
BFGS:   18 17:46:11      -28.781094        0.0000
BFGS:   19 17:46:11      -28.781094        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.291480127392457e-10 eV/Angstrom
Maximum stress component: 1.2797773857775304e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.30179663 0.80179663 0.        ]
 [0.69820337 0.19820337 0.        ]
 [0.19820337 0.30179663 0.        ]
 [0.80179663 0.69820337 0.        ]]
cellpar =  Cell([[5.592356085102376, -1.127656906226373e-35, -3.0094594573481627e-32], [-2.1211916451146824e-35, 5.592356085102375, 7.616744452987426e-18], [1.3395601373824774e-32, 3.85921204001591e-18, 2.8111102868506315]])
forces =  [[-2.29148013e-10 -2.29148013e-10 -3.12098851e-28]
 [ 2.29148013e-10  2.29148013e-10  3.12098310e-28]
 [ 2.29148013e-10 -2.29148013e-10 -3.12098851e-28]
 [-2.29148013e-10  2.29148013e-10  3.12098581e-28]]
stress =  [ 2.94946168e-11  2.94946168e-11  1.27977739e-10 -3.27456026e-27
 -8.06476173e-36  6.11701747e-63]
energy per atom =  -7.195273476920487
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0