{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.855273 0 ] [ 0 0.144727 0 ] [ 0.5 0.355273 0 ] [ 0.5 0.644727 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0.185111 0.5 ] [ 0.5 0.814889 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.685111 0.5 ] [ 0 0.314889 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.52373701934 "source-unit" "angstrom" } "b" { "source-value" 16.2111746655 "source-unit" "angstrom" } "c" { "source-value" 4.60504759 "source-unit" "angstrom" } }