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 21:23:18      -28.504183         0.770495
BFGS:    1 21:23:18      -28.523368         0.817166
BFGS:    2 21:23:18      -28.625478         0.810850
BFGS:    3 21:23:19      -28.717858         0.591432
BFGS:    4 21:23:19      -28.758368         0.143678
BFGS:    5 21:23:19      -28.759750         0.138741
BFGS:    6 21:23:19      -28.766036         0.129081
BFGS:    7 21:23:19      -28.773926         0.183761
BFGS:    8 21:23:19      -28.778586         0.132016
BFGS:    9 21:23:19      -28.779619         0.090990
BFGS:   10 21:23:19      -28.780077         0.108536
BFGS:   11 21:23:19      -28.780508         0.095260
BFGS:   12 21:23:19      -28.780962         0.044180
BFGS:   13 21:23:19      -28.781079         0.013614
BFGS:   14 21:23:19      -28.781093         0.002147
BFGS:   15 21:23:19      -28.781094         0.000123
BFGS:   16 21:23:19      -28.781094         0.000011
BFGS:   17 21:23:19      -28.781094         0.000000
BFGS:   18 21:23:19      -28.781094         0.000000
BFGS:   19 21:23:19      -28.781094         0.000000
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