{ "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" [ [ 0.5 0.247053 0.75 ] [ 0.5 0.752947 0.25 ] [ 0 0.747053 0.75 ] [ 0 0.252947 0.25 ] [ 0.5 0.932732 0.75 ] [ 0.5 0.067268 0.25 ] [ 0 0.136378 0.938892 ] [ 0 0.863622 0.061108 ] [ 0 0.863622 0.438892 ] [ 0 0.136378 0.561108 ] [ 0 0.432732 0.75 ] [ 0 0.567268 0.25 ] [ 0.5 0.636378 0.938892 ] [ 0.5 0.363622 0.061108 ] [ 0.5 0.363622 0.438892 ] [ 0.5 0.636378 0.561108 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.8732593 "source-unit" "angstrom" } "b" { "source-value" 9.74387512 "source-unit" "angstrom" } "c" { "source-value" 7.6946793 "source-unit" "angstrom" } }