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 17:58:49      -27.696310         2.205358
BFGS:    1 17:58:49      -27.833681         2.047010
BFGS:    2 17:58:49      -28.019504         1.723909
BFGS:    3 17:58:49      -28.162566         1.309657
BFGS:    4 17:58:49      -28.259525         0.804151
BFGS:    5 17:58:49      -28.310718         0.394868
BFGS:    6 17:58:49      -28.329156         0.402884
BFGS:    7 17:58:49      -28.356092         0.490663
BFGS:    8 17:58:49      -28.405462         0.877799
BFGS:    9 17:58:49      -28.443866         0.917084
BFGS:   10 17:58:49      -28.467385         0.459102
BFGS:   11 17:58:49      -28.472616         0.161561
BFGS:   12 17:58:49      -28.473699         0.129973
BFGS:   13 17:58:49      -28.475370         0.079587
BFGS:   14 17:58:49      -28.475807         0.026394
BFGS:   15 17:58:49      -28.475869         0.006921
BFGS:   16 17:58:49      -28.475870         0.000582
BFGS:   17 17:58:49      -28.475871         0.000021
BFGS:   18 17:58:49      -28.475871         0.000001
BFGS:   19 17:58:49      -28.475871         0.000000
BFGS:   20 17:58:49      -28.475871         0.000000
Minimization converged after 20 steps.
Maximum force component: 6.41334486852307e-09 eV/Angstrom
Maximum stress component: 3.492270790064531e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.3163202 0.8163202 0.       ]
 [0.6836798 0.1836798 0.       ]
 [0.1836798 0.3163202 0.       ]
 [0.8163202 0.6836798 0.       ]]
cellpar =  Cell([[5.214980081760297, 1.9182471690635676e-36, 2.5162513456855216e-32], [-2.1710689178628793e-35, 5.214980081760294, -4.1590089833119436e-18], [9.751845849750069e-33, -2.0838088417449327e-18, 2.5462905748382636]])
forces =  [[-6.41334487e-09 -6.41334487e-09  5.11471972e-27]
 [ 6.41334487e-09  6.41334487e-09 -5.11471997e-27]
 [ 6.41334487e-09 -6.41334487e-09  5.11471945e-27]
 [-6.41334487e-09  6.41334487e-09 -5.11471997e-27]]
stress =  [-3.49227079e-10 -3.49227079e-10 -3.24675331e-10  9.69918136e-26
 -6.07559922e-40  1.01970730e-55]
energy per atom =  -7.118967628692597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0