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:
EAM_Dynamo_RaveloGermannGuerrero_2013Ta1_Ta__MO_816821594689_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 17:44:58      -27.696310        2.2054
BFGS:    1 17:44:58      -27.833681        2.0470
BFGS:    2 17:44:58      -28.019504        1.7239
BFGS:    3 17:44:58      -28.162566        1.3097
BFGS:    4 17:44:58      -28.259525        0.8042
BFGS:    5 17:44:58      -28.310718        0.3949
BFGS:    6 17:44:58      -28.329156        0.4029
BFGS:    7 17:44:58      -28.356092        0.4907
BFGS:    8 17:44:58      -28.405462        0.8778
BFGS:    9 17:44:58      -28.443866        0.9171
BFGS:   10 17:44:58      -28.467385        0.4591
BFGS:   11 17:44:58      -28.472616        0.1616
BFGS:   12 17:44:58      -28.473699        0.1300
BFGS:   13 17:44:58      -28.475370        0.0796
BFGS:   14 17:44:58      -28.475807        0.0264
BFGS:   15 17:44:58      -28.475869        0.0069
BFGS:   16 17:44:58      -28.475870        0.0006
BFGS:   17 17:44:58      -28.475871        0.0000
BFGS:   18 17:44:58      -28.475871        0.0000
BFGS:   19 17:44:58      -28.475871        0.0000
BFGS:   20 17:44:58      -28.475871        0.0000
Minimization converged after 20 steps.
Maximum force component: 6.413346637522583e-09 eV/Angstrom
Maximum stress component: 3.492271908109e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.16320205e-01 8.16320205e-01 0.00000000e+00]
 [6.83679795e-01 1.83679795e-01 6.05093531e-34]
 [1.83679795e-01 3.16320205e-01 6.05093531e-34]
 [8.16320205e-01 6.83679795e-01 1.21018706e-33]]
cellpar =  Cell([[5.214980081760297, -1.4035235309577054e-35, -2.955187739117135e-32], [-2.473482561834916e-35, 5.214980081760294, -1.3451587232556998e-17], [-6.21361448634064e-33, -6.4333363769295685e-18, 2.5462905748382636]])
forces =  [[-6.41334664e-09 -6.41334664e-09  1.65426700e-26]
 [ 6.41334664e-09  6.41334664e-09 -1.65426700e-26]
 [ 6.41334664e-09 -6.41334664e-09  1.65426686e-26]
 [-6.41334664e-09  6.41334664e-09 -1.65426690e-26]]
stress =  [-3.49227191e-10 -3.49227191e-10 -3.24675368e-10  2.03098685e-26
  3.09766883e-39 -1.75990996e-55]
energy per atom =  -7.118967628692595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0