{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.703789 ] [ 0 0.5 0.203789 ] [ 0 0.5 0.796211 ] [ 0.5 0.5 0.296211 ] [ 0.142198 0.611056 0.5 ] [ 0.642198 0.388944 0 ] [ 0.857802 0.388944 0.5 ] [ 0.357802 0.611056 0 ] [ 0.75 0.186794 0.25 ] [ 0.246824 0.276868 0 ] [ 0.753176 0.723132 0 ] [ 0.25 0.813206 0.25 ] [ 0.746824 0.723132 0.5 ] [ 0.253176 0.276868 0.5 ] [ 0.25 0.813206 0.75 ] [ 0.75 0.186794 0.75 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Fe" "Fe" "Fe" "Fe" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.32666441 "source-unit" "angstrom" } "b" { "source-value" 7.52804342 "source-unit" "angstrom" } "c" { "source-value" 8.12422113 "source-unit" "angstrom" } }