{ "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 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0 0.998602 ] [ 0 0 0.751398 ] [ 0 0.5 0.001398 ] [ 0 0 0.248602 ] [ 0 0.5 0.498602 ] [ 0.5 0.5 0.251398 ] [ 0.5 0 0.501398 ] [ 0.5 0.5 0.748602 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.43242501711 "source-unit" "angstrom" } "c" { "source-value" 11.0551823772 "source-unit" "angstrom" } }