{ "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 0.893402 0.25 ] [ 0 0.106598 0.75 ] [ 0.5 0.393402 0.25 ] [ 0.5 0.606598 0.75 ] [ 0 0.249979 0.25 ] [ 0 0.750021 0.75 ] [ 0.5 0.959261 0.75 ] [ 0.5 0.040739 0.25 ] [ 0.5 0.749979 0.25 ] [ 0.5 0.250021 0.75 ] [ 0 0.459261 0.75 ] [ 0 0.540739 0.25 ] [ 0.5 0.818158 0.75 ] [ 0.5 0.181842 0.25 ] [ 0 0.318158 0.75 ] [ 0 0.681842 0.25 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "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" 4.17879181631 "source-unit" "angstrom" } "b" { "source-value" 16.4607317779 "source-unit" "angstrom" } "c" { "source-value" 4.08677461 "source-unit" "angstrom" } }