element(s):
['Ar']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7835']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.7835, 0, 0], [0, 5.7835, 0], [0, 0, 5.7835]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:46:55       -0.011953        0.0064
BFGS:    1 16:46:55       -0.011955        0.0064
BFGS:    2 16:46:55       -0.012962        0.0070
BFGS:    3 16:46:55       -0.014061        0.0077
BFGS:    4 16:46:55       -0.015261        0.0084
BFGS:    5 16:46:55       -0.016573        0.0091
BFGS:    6 16:46:55       -0.018009        0.0100
BFGS:    7 16:46:55       -0.019582        0.0110
BFGS:    8 16:46:55       -0.021329        0.0122
BFGS:    9 16:46:55       -0.023250        0.0134
BFGS:   10 16:46:55       -0.025362        0.0148
BFGS:   11 16:46:55       -0.027685        0.0162
BFGS:   12 16:46:55       -0.030243        0.0179
BFGS:   13 16:46:55       -0.033065        0.0197
BFGS:   14 16:46:55       -0.036179        0.0218
BFGS:   15 16:46:56       -0.039625        0.0245
BFGS:   16 16:46:56       -0.043488        0.0271
BFGS:   17 16:46:56       -0.047765        0.0300
BFGS:   18 16:46:56       -0.052506        0.0333
BFGS:   19 16:46:56       -0.057766        0.0369
BFGS:   20 16:46:56       -0.063607        0.0410
BFGS:   21 16:46:56       -0.070105        0.0457
BFGS:   22 16:46:56       -0.077346        0.0509
BFGS:   23 16:46:56       -0.085402        0.0566
BFGS:   24 16:46:56       -0.094370        0.0631
BFGS:   25 16:46:56       -0.104354        0.0702
BFGS:   26 16:46:56       -0.115581        0.0790
BFGS:   27 16:46:56       -0.128093        0.0879
BFGS:   28 16:46:56       -0.142004        0.0977
BFGS:   29 16:46:56       -0.157449        0.1084
BFGS:   30 16:46:56       -0.174566        0.1199
BFGS:   31 16:46:56       -0.193455        0.1320
BFGS:   32 16:46:56       -0.214225        0.1453
BFGS:   33 16:46:56       -0.236959        0.1578
BFGS:   34 16:46:56       -0.261510        0.1693
BFGS:   35 16:46:56       -0.287705        0.1792
BFGS:   36 16:46:56       -0.315035        0.1843
BFGS:   37 16:46:56       -0.342659        0.1824
BFGS:   38 16:46:56       -0.369113        0.1677
BFGS:   39 16:46:56       -0.392041        0.1337
BFGS:   40 16:46:56       -0.407649        0.0679
BFGS:   41 16:46:56       -0.410269        0.0447
BFGS:   42 16:46:56       -0.411308        0.0080
BFGS:   43 16:46:56       -0.411347        0.0007
BFGS:   44 16:46:56       -0.411347        0.0000
BFGS:   45 16:46:56       -0.411347        0.0000
BFGS:   46 16:46:56       -0.411347        0.0000
Minimization converged after 46 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.315751625933838e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.96341382e-34]]
cellpar =  Cell([[2.915562236980768, 1.4058419271943958e-33, 2.2625842435895152e-33], [-7.970786255678714e-33, 2.9155622369807674, -5.3291083970341e-18], [1.5777955515093644e-33, -5.329108397034105e-18, 2.9155622369807683]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.31575163e-14 3.31575163e-14 3.31575163e-14 4.50694604e-30
 4.72013712e-37 6.16589662e-53]
energy per atom =  -0.10283672718485705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0