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_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_002
==== 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       -0.146132        0.1018
BFGS:    1 14:47:35       -0.146564        0.1018
BFGS:    2 14:47:35       -0.161117        0.0970
BFGS:    3 14:47:35       -0.174176        0.0796
BFGS:    4 14:47:35       -0.183850        0.0496
BFGS:    5 14:47:35       -0.187493        0.0061
BFGS:    6 14:47:35       -0.187508        0.0021
BFGS:    7 14:47:35       -0.187509        0.0023
BFGS:    8 14:47:35       -0.187509        0.0023
BFGS:    9 14:47:35       -0.187511        0.0024
BFGS:   10 14:47:35       -0.187512        0.0020
BFGS:   11 14:47:35       -0.187514        0.0009
BFGS:   12 14:47:35       -0.187514        0.0002
BFGS:   13 14:47:35       -0.187514        0.0000
BFGS:   14 14:47:35       -0.187514        0.0000
BFGS:   15 14:47:35       -0.187514        0.0000
BFGS:   16 14:47:35       -0.187514        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.1177847091618265e-34 eV/Angstrom
Maximum stress component: 9.375087043803879e-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([[3.7144768216955, 9.687266291591954e-17, 1.0271722419286223e-38], [-1.85723841084775, 3.2168312893567825, -5.591409111450564e-38], [1.1265482621119093e-36, -1.7160282497897167e-37, 6.063206804849721]])
forces =  [[ 1.04326573e-34  2.58141321e-35 -1.18983963e-73]
 [-1.11778471e-34 -1.29070661e-35 -1.05363166e-73]]
stress =  [ 9.37508704e-11  9.37508704e-11  8.14931267e-11 -2.13944892e-35
  8.55146360e-36 -1.22603841e-26]
energy per atom =  -0.09375721665563462
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0