{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.100921 ] [ 0 0 0.201623 ] [ 0 0 0.798377 ] [ 0.5 0.5 0.899079 ] [ 0 0 0.600921 ] [ 0.5 0.5 0.701623 ] [ 0.5 0.5 0.298377 ] [ 0 0 0.399079 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0.103931 ] [ 0.5 0.5 0.20094 ] [ 0.5 0.5 0.79906 ] [ 0 0 0.896069 ] [ 0.5 0.5 0.603931 ] [ 0 0 0.70094 ] [ 0 0 0.29906 ] [ 0.5 0.5 0.396069 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.90629193 "source-unit" "angstrom" } "c" { "source-value" 20.82018754 "source-unit" "angstrom" } }