{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0.246414 ] [ 0.5 0.5 0.753586 ] [ 0.5 0 0.003586 ] [ 0 0.5 0.996414 ] [ 0 0 0.746414 ] [ 0 0 0.253586 ] [ 0 0.5 0.503586 ] [ 0.5 0 0.496414 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ho" "Ho" "Ho" "Ho" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.67164761292 "source-unit" "angstrom" } "c" { "source-value" 11.5415066997 "source-unit" "angstrom" } }