{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F2dd" } "basis-atom-coordinates" { "source-value" [ [ 0.49421 0.184721 0.447025 ] [ 0.49421 0.815279 0.552975 ] [ 0.74421 0.065279 0.697025 ] [ 0.24421 0.434721 0.302975 ] [ 0.99421 0.184721 0.947025 ] [ 0.99421 0.815279 0.052975 ] [ 0.24421 0.065279 0.197025 ] [ 0.74421 0.434721 0.802975 ] [ 0.99421 0.684721 0.447025 ] [ 0.99421 0.315279 0.552975 ] [ 0.24421 0.565279 0.697025 ] [ 0.74421 0.934721 0.302975 ] [ 0.49421 0.684721 0.947025 ] [ 0.49421 0.315279 0.052975 ] [ 0.74421 0.565279 0.197025 ] [ 0.24421 0.934721 0.802975 ] [ 0.875157 0 0.5 ] [ 0.125157 0.75 0.25 ] [ 0.503211 0.682428 0.364151 ] [ 0.503211 0.317572 0.635849 ] [ 0.253211 0.067572 0.614151 ] [ 0.253211 0.932428 0.385849 ] [ 0.375157 0 0 ] [ 0.625157 0.75 0.75 ] [ 0.003211 0.682428 0.864151 ] [ 0.003211 0.317572 0.135849 ] [ 0.753211 0.067572 0.114151 ] [ 0.753211 0.932428 0.885849 ] [ 0.375157 0.5 0.5 ] [ 0.625157 0.25 0.25 ] [ 0.003211 0.182428 0.364151 ] [ 0.003211 0.817572 0.635849 ] [ 0.753211 0.567572 0.614151 ] [ 0.753211 0.432428 0.385849 ] [ 0.875157 0.5 0 ] [ 0.125157 0.25 0.75 ] [ 0.503211 0.182428 0.864151 ] [ 0.503211 0.817572 0.135849 ] [ 0.253211 0.567572 0.114151 ] [ 0.253211 0.432428 0.885849 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52981803 "source-unit" "angstrom" } "b" { "source-value" 9.54808782 "source-unit" "angstrom" } "c" { "source-value" 13.82097631 "source-unit" "angstrom" } }