{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.291285 0.291285 0 ] [ 0.708715 0.708715 0 ] [ 0.208715 0.791285 0.5 ] [ 0.791285 0.208715 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75577091 "source-unit" "angstrom" } "c" { "source-value" 3.76736102 "source-unit" "angstrom" } }