{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.696651 0.696651 0 ] [ 0.196651 0.803349 0.5 ] [ 0.303349 0.303349 0 ] [ 0.803349 0.196651 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "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" 4.6940001 "source-unit" "angstrom" } "c" { "source-value" 3.09463841 "source-unit" "angstrom" } }