{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.264472 0.735528 0.263677 ] [ 0.264472 0.264472 0.736323 ] [ 0.735528 0.735528 0.736323 ] [ 0.735528 0.264472 0.263677 ] ] } "species" { "source-value" [ "Fe" "Cu" "Cu" "Sn" "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" 5.46691761 "source-unit" "angstrom" } "c" { "source-value" 5.38419146 "source-unit" "angstrom" } }