{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.216029 0.263677 0.130217 ] [ 0.783971 0.736323 0.130217 ] [ 0.263677 0.783971 0.869783 ] [ 0.736323 0.216029 0.869783 ] [ 0.716029 0.763677 0.630217 ] [ 0.283971 0.236323 0.630217 ] [ 0.763677 0.283971 0.369783 ] [ 0.236323 0.716029 0.369783 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "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" 5.94579786 "source-unit" "angstrom" } "c" { "source-value" 12.50557652 "source-unit" "angstrom" } }