{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.89449 0.25 ] [ 0 0.10551 0.75 ] [ 0.5 0.39449 0.25 ] [ 0.5 0.60551 0.75 ] [ 0.5 0.750805 0.25 ] [ 0.5 0.249195 0.75 ] [ 0.5 0.96049 0.75 ] [ 0.5 0.03951 0.25 ] [ 0 0.250805 0.25 ] [ 0 0.749195 0.75 ] [ 0 0.46049 0.75 ] [ 0 0.53951 0.25 ] [ 0.5 0.823965 0.75 ] [ 0.5 0.176035 0.25 ] [ 0 0.323965 0.75 ] [ 0 0.676035 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.92909501257 "source-unit" "angstrom" } "b" { "source-value" 16.5020215204 "source-unit" "angstrom" } "c" { "source-value" 3.95223873 "source-unit" "angstrom" } }