{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.690315 0.947229 0 ] [ 0.947229 0.309685 0 ] [ 0.052771 0.690315 0 ] [ 0.309685 0.052771 0 ] [ 0 0 0.5 ] [ 0.190315 0.447229 0.5 ] [ 0.447229 0.809685 0.5 ] [ 0.552771 0.190315 0.5 ] [ 0.809685 0.552771 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "F" "F" "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" 7.24073283 "source-unit" "angstrom" } "c" { "source-value" 4.75132578 "source-unit" "angstrom" } }