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 16:59:30      -28.504183         0.770495
BFGS:    1 16:59:30      -28.523368         0.817166
BFGS:    2 16:59:30      -28.625478         0.810850
BFGS:    3 16:59:30      -28.717858         0.591432
BFGS:    4 16:59:30      -28.758368         0.143678
BFGS:    5 16:59:30      -28.759750         0.138741
BFGS:    6 16:59:30      -28.766036         0.129081
BFGS:    7 16:59:30      -28.773926         0.183761
BFGS:    8 16:59:30      -28.778586         0.132015
BFGS:    9 16:59:30      -28.779619         0.090990
BFGS:   10 16:59:30      -28.780077         0.108536
BFGS:   11 16:59:30      -28.780508         0.095260
BFGS:   12 16:59:30      -28.780962         0.044180
BFGS:   13 16:59:30      -28.781079         0.013614
BFGS:   14 16:59:30      -28.781093         0.002147
BFGS:   15 16:59:30      -28.781094         0.000123
BFGS:   16 16:59:30      -28.781094         0.000011
BFGS:   17 16:59:30      -28.781094         0.000000
BFGS:   18 16:59:30      -28.781094         0.000000
BFGS:   19 16:59:30      -28.781094         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.2914355872830086e-10 eV/Angstrom
Maximum stress component: 1.2797437826299608e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.01796627e-01 8.01796627e-01 2.74045448e-34]
 [6.98203373e-01 1.98203373e-01 2.74045448e-34]
 [1.98203373e-01 3.01796627e-01 0.00000000e+00]
 [8.01796627e-01 6.98203373e-01 8.22136344e-34]]
cellpar =  Cell([[5.592356085102377, -2.035207664544726e-35, -4.347724166888434e-32], [-2.3141355118584288e-35, 5.592356085102378, -5.748601164506851e-18], [-2.900150057010978e-32, -2.91122927014166e-18, 2.8111102868506257]])
forces =  [[-2.29143559e-10 -2.29143559e-10  2.35545611e-28]
 [ 2.29143559e-10  2.29143559e-10 -2.35549942e-28]
 [ 2.29143559e-10 -2.29143559e-10  2.35546693e-28]
 [-2.29143559e-10  2.29143559e-10 -2.35542362e-28]]
stress =  [ 2.94940139e-11  2.94940139e-11  1.27974378e-10 -1.13350757e-26
 -5.51290233e-35  6.21860662e-51]
energy per atom =  -7.1952734769204865
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0