element(s):
['Ar']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1181', '1.6316262']
model name:
Morse_Shifted_Jelinek_1972_Ar__MO_831902330215_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.1181, 0, 0], [-2.05905, 3.5663792153247, 0], [0, 0, 6.7192]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:47:35       -0.144950        0.0999
BFGS:    1 14:47:35       -0.145375        0.0999
BFGS:    2 14:47:35       -0.159901        0.0937
BFGS:    3 14:47:35       -0.172851        0.0777
BFGS:    4 14:47:35       -0.182362        0.0468
BFGS:    5 14:47:35       -0.185689        0.0074
BFGS:    6 14:47:35       -0.185735        0.0019
BFGS:    7 14:47:35       -0.185738        0.0007
BFGS:    8 14:47:35       -0.185738        0.0007
BFGS:    9 14:47:35       -0.185738        0.0008
BFGS:   10 14:47:35       -0.185738        0.0008
BFGS:   11 14:47:35       -0.185738        0.0006
BFGS:   12 14:47:35       -0.185738        0.0003
BFGS:   13 14:47:35       -0.185738        0.0001
BFGS:   14 14:47:35       -0.185738        0.0000
BFGS:   15 14:47:35       -0.185738        0.0000
BFGS:   16 14:47:35       -0.185738        0.0000
BFGS:   17 14:47:35       -0.185738        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.227542171194659e-33 eV/Angstrom
Maximum stress component: 5.0842824239640056e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.7149555246914643, 6.106796426915698e-17, 6.2685965294359054e-37], [-1.8574777623457321, 3.2172458583121553, 3.4129143864981273e-37], [-2.428665422509911e-37, -5.2224669050323845e-37, 6.062858934728848]])
forces =  [[-7.15474409e-34  4.13079342e-34  6.22754217e-33]
 [ 2.49463438e-70  5.36432288e-70 -6.22754217e-33]]
stress =  [ 5.08428242e-11  5.08428242e-11  4.16360851e-11 -1.56333167e-35
 -4.27542613e-36 -9.53121968e-27]
energy per atom =  -0.09286914608877125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0