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:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 17:59:16        6.919156         1.801102
BFGS:    1 17:59:16        6.847038         1.641608
BFGS:    2 17:59:16        6.736559         1.278394
BFGS:    3 17:59:16        6.659189         0.832189
BFGS:    4 17:59:16        6.610098         0.392565
BFGS:    5 17:59:16        6.581844         0.542764
BFGS:    6 17:59:16        6.562200         0.502600
BFGS:    7 17:59:16        6.504228         0.788275
BFGS:    8 17:59:16        6.462756         0.858112
BFGS:    9 17:59:16        6.436467         0.607124
BFGS:   10 17:59:16        6.421721         0.536129
BFGS:   11 17:59:16        6.396962         0.489726
BFGS:   12 17:59:16        6.377871         0.316898
BFGS:   13 17:59:16        6.372811         0.158281
BFGS:   14 17:59:16        6.372173         0.033511
BFGS:   15 17:59:16        6.371723         0.017628
BFGS:   16 17:59:16        6.371710         0.002035
BFGS:   17 17:59:16        6.371709         0.000029
BFGS:   18 17:59:16        6.371709         0.000001
BFGS:   19 17:59:16        6.371709         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.6381537003631876e-09 eV/Angstrom
Maximum stress component: 4.980399440632569e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.25542699e-01 8.25542699e-01 0.00000000e+00]
 [6.74457301e-01 1.74457301e-01 7.47616919e-35]
 [1.74457301e-01 3.25542699e-01 0.00000000e+00]
 [8.25542699e-01 6.74457301e-01 2.99046767e-34]]
cellpar =  Cell([[5.352862692145104, 2.5624949537691393e-35, 1.2398051173340777e-32], [2.7087442548516913e-35, 5.352862692145105, -6.062486982340622e-18], [4.1111311744258254e-32, -2.8939110935375133e-18, 2.576091974900653]])
forces =  [[ 1.63815370e-09  1.63815370e-09 -1.85531634e-27]
 [-1.63815370e-09 -1.63815370e-09  1.85531808e-27]
 [-1.63815370e-09  1.63815370e-09 -1.85531634e-27]
 [ 1.63815370e-09 -1.63815370e-09  1.85531634e-27]]
stress =  [ 2.57049823e-10  2.57049823e-10  4.98039944e-10 -3.86942932e-26
 -2.26137007e-42  5.95271991e-58]
energy per atom =  -6.450397111811787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0