{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.646574 0.75 ] [ 0.5 0.353426 0.25 ] [ 0 0.155347 0.75 ] [ 0 0.844653 0.25 ] [ 0.74736 0.374563 0.595331 ] [ 0.25264 0.374563 0.904669 ] [ 0.221599 0.89654 0.935686 ] [ 0.778401 0.89654 0.564314 ] [ 0.778401 0.10346 0.064314 ] [ 0.221599 0.10346 0.435686 ] [ 0.74736 0.625437 0.095331 ] [ 0.25264 0.625437 0.404669 ] ] } "species" { "source-value" [ "Na" "Na" "Er" "Er" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.44508272759 "source-unit" "angstrom" } "b" { "source-value" 7.72605864 "source-unit" "angstrom" } "c" { "source-value" 6.8034840168 "source-unit" "angstrom" } "beta" { "source-value" 92.7418493449 "source-unit" "degree" } }