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_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_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 17:58:34      -28.086876         1.896354
BFGS:    1 17:58:34      -28.174831         1.687684
BFGS:    2 17:58:35      -28.319602         1.271835
BFGS:    3 17:58:35      -28.440125         0.815804
BFGS:    4 17:58:35      -28.534143         0.470024
BFGS:    5 17:58:35      -28.599634         0.421989
BFGS:    6 17:58:35      -28.632572         0.542461
BFGS:    7 17:58:35      -28.641642         0.485986
BFGS:    8 17:58:36      -28.671103         0.244956
BFGS:    9 17:58:36      -28.673623         0.159592
BFGS:   10 17:58:36      -28.675222         0.117842
BFGS:   11 17:58:36      -28.676160         0.052577
BFGS:   12 17:58:36      -28.676318         0.009084
BFGS:   13 17:58:36      -28.676327         0.001211
BFGS:   14 17:58:36      -28.676327         0.000083
BFGS:   15 17:58:37      -28.676327         0.000004
BFGS:   16 17:58:37      -28.676327         0.000000
BFGS:   17 17:58:37      -28.676327         0.000000
Minimization converged after 17 steps.
Maximum force component: 8.058231702355244e-11 eV/Angstrom
Maximum stress component: 2.391014019920138e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.08763036e-01 8.08763036e-01 1.49148958e-34]
 [6.91236964e-01 1.91236964e-01 0.00000000e+00]
 [1.91236964e-01 3.08763036e-01 0.00000000e+00]
 [8.08763036e-01 6.91236964e-01 0.00000000e+00]]
cellpar =  Cell([[5.165701316512815, -2.1693732177121812e-35, -1.4358745676959808e-32], [-9.350220924481446e-36, 5.165701316512816, 2.689707708279133e-18], [1.8618816890946067e-32, 1.3771152021782757e-18, 2.5825590387458286]])
forces =  [[-8.05823170e-11 -8.05823170e-11 -4.19620533e-29]
 [ 8.05823170e-11  8.05823170e-11  4.19620533e-29]
 [ 8.05823170e-11 -8.05823170e-11 -4.19660323e-29]
 [-8.05823170e-11  8.05823170e-11  4.19620533e-29]]
stress =  [-2.39101402e-11 -2.39101402e-11  5.92988948e-12 -5.31144038e-27
 -1.50139261e-33 -1.88200939e-53]
energy per atom =  -7.16908173134729
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0