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 15:06:44      -27.696310         2.205358
BFGS:    1 15:06:44      -27.833681         2.047010
BFGS:    2 15:06:44      -28.019504         1.723909
BFGS:    3 15:06:44      -28.162566         1.309657
BFGS:    4 15:06:44      -28.259525         0.804151
BFGS:    5 15:06:45      -28.310718         0.394868
BFGS:    6 15:06:45      -28.329156         0.402884
BFGS:    7 15:06:45      -28.356092         0.490663
BFGS:    8 15:06:45      -28.405462         0.877799
BFGS:    9 15:06:45      -28.443866         0.917084
BFGS:   10 15:06:45      -28.467385         0.459102
BFGS:   11 15:06:45      -28.472616         0.161561
BFGS:   12 15:06:46      -28.473699         0.129973
BFGS:   13 15:06:46      -28.475370         0.079587
BFGS:   14 15:06:46      -28.475807         0.026394
BFGS:   15 15:06:46      -28.475869         0.006921
BFGS:   16 15:06:46      -28.475870         0.000582
BFGS:   17 15:06:46      -28.475871         0.000021
BFGS:   18 15:06:46      -28.475871         0.000001
BFGS:   19 15:06:46      -28.475871         0.000000
BFGS:   20 15:06:47      -28.475871         0.000000
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