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:
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Ta__SM_907764821792_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 17:45:40      -28.504183        0.7705
BFGS:    1 17:45:40      -28.523368        0.8172
BFGS:    2 17:45:40      -28.625478        0.8109
BFGS:    3 17:45:40      -28.717858        0.5914
BFGS:    4 17:45:40      -28.758368        0.1437
BFGS:    5 17:45:40      -28.759750        0.1387
BFGS:    6 17:45:40      -28.766036        0.1291
BFGS:    7 17:45:40      -28.773926        0.1838
BFGS:    8 17:45:40      -28.778586        0.1320
BFGS:    9 17:45:40      -28.779619        0.0910
BFGS:   10 17:45:40      -28.780077        0.1085
BFGS:   11 17:45:40      -28.780508        0.0953
BFGS:   12 17:45:40      -28.780962        0.0442
BFGS:   13 17:45:40      -28.781079        0.0136
BFGS:   14 17:45:40      -28.781093        0.0021
BFGS:   15 17:45:40      -28.781094        0.0001
BFGS:   16 17:45:40      -28.781094        0.0000
BFGS:   17 17:45:40      -28.781094        0.0000
BFGS:   18 17:45:40      -28.781094        0.0000
BFGS:   19 17:45:40      -28.781094        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.2914409952834444e-10 eV/Angstrom
Maximum stress component: 1.2797445253280736e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.01796627e-01 8.01796627e-01 0.00000000e+00]
 [6.98203373e-01 1.98203373e-01 0.00000000e+00]
 [1.98203373e-01 3.01796627e-01 3.42556810e-34]
 [8.01796627e-01 6.98203373e-01 2.74045448e-34]]
cellpar =  Cell([[5.592356085102378, -1.866000241684122e-35, 2.1899644874044998e-32], [-1.385767577414845e-35, 5.592356085102377, 4.5036199206455995e-18], [-1.3917611009661322e-33, 2.2540124164223832e-18, 2.8111102868506257]])
forces =  [[-2.29144100e-10 -2.29144100e-10 -1.84533925e-28]
 [ 2.29144100e-10  2.29144100e-10  1.84533659e-28]
 [ 2.29144100e-10 -2.29144100e-10 -1.84533930e-28]
 [-2.29144100e-10  2.29144100e-10  1.84533118e-28]]
stress =  [ 2.94939973e-11  2.94939973e-11  1.27974453e-10  1.81513474e-26
 -9.80071525e-35 -1.64086301e-50]
energy per atom =  -7.195273476920491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0