{ "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" [ [ 0.149914 0.5 0.5 ] [ 0.850086 0.5 0.5 ] [ 0 0.649914 0 ] [ 0 0.350086 0 ] [ 0.649914 0 0 ] [ 0.350086 0 0 ] [ 0.5 0.149914 0.5 ] [ 0.5 0.850086 0.5 ] [ 0.658607 0.658607 0 ] [ 0.341393 0.658607 0 ] [ 0.158607 0.841393 0.5 ] [ 0.841393 0.841393 0.5 ] [ 0.158607 0.158607 0.5 ] [ 0.841393 0.158607 0.5 ] [ 0.658607 0.341393 0 ] [ 0.341393 0.341393 0 ] [ 0.190749 0.5 0 ] [ 0.809251 0.5 0 ] [ 0 0.690749 0.5 ] [ 0 0.309251 0.5 ] [ 0.690749 0 0.5 ] [ 0.309251 0 0.5 ] [ 0.5 0.190749 0 ] [ 0.5 0.809251 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.49445802199 "source-unit" "angstrom" } "c" { "source-value" 3.88960056642 "source-unit" "angstrom" } }