{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.109736 0.460847 ] [ 0.75 0.390264 0.960847 ] [ 0.75 0.890264 0.539153 ] [ 0.25 0.609736 0.039153 ] [ 0.75 0.788167 0.131271 ] [ 0.25 0.711833 0.631271 ] [ 0.75 0.288167 0.368729 ] [ 0.25 0.211833 0.868729 ] [ 0.75 0.550795 0.679844 ] [ 0.25 0.949205 0.179844 ] [ 0.25 0.449205 0.320156 ] [ 0.75 0.050795 0.820156 ] [ 0.425105 0.856943 0.567225 ] [ 0.574895 0.143057 0.432775 ] [ 0.25 0.752944 0.816084 ] [ 0.75 0.247056 0.183916 ] [ 0.574895 0.643057 0.067225 ] [ 0.925105 0.143057 0.432775 ] [ 0.074895 0.356943 0.932775 ] [ 0.75 0.747056 0.316084 ] [ 0.925105 0.643057 0.067225 ] [ 0.074895 0.856943 0.567225 ] [ 0.425105 0.356943 0.932775 ] [ 0.25 0.252944 0.683916 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.18494473 "source-unit" "angstrom" } "b" { "source-value" 7.40724928 "source-unit" "angstrom" } "c" { "source-value" 9.05496722 "source-unit" "angstrom" } }