{ "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 0.102283 ] [ 0 0.5 0.102283 ] [ 0.5 0 0.897717 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.897717 ] [ 0 0.5 0.602283 ] [ 0.5 0 0.602283 ] [ 0 0.5 0.397717 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.397717 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.175852 ] [ 0.5 0.5 0.824148 ] [ 0 0 0.675852 ] [ 0 0 0.324148 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sb" "Sb" "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" 4.0435006 "source-unit" "angstrom" } "c" { "source-value" 19.41130727 "source-unit" "angstrom" } }