{ "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" [ [ 0.75 0.369166 0.591493 ] [ 0.75 0.515002 0.179465 ] [ 0.75 0.015002 0.320535 ] [ 0.75 0.869166 0.908507 ] [ 0.25 0.630834 0.408507 ] [ 0.25 0.484998 0.820535 ] [ 0.25 0.984998 0.679465 ] [ 0.25 0.130834 0.091493 ] [ 0.75 0.275249 0.922377 ] [ 0.25 0.224751 0.422377 ] [ 0.25 0.724751 0.077623 ] [ 0.75 0.775249 0.577623 ] [ 0.25 0.983219 0.417251 ] [ 0.500111 0.816186 0.157397 ] [ 0.25 0.31876 0.586114 ] [ 0.25 0.81876 0.913886 ] [ 0.75 0.18124 0.086114 ] [ 0.000111 0.183814 0.842603 ] [ 0.25 0.483219 0.082749 ] [ 0.499889 0.683814 0.657397 ] [ 0.75 0.016781 0.582749 ] [ 0.500111 0.316186 0.342603 ] [ 0.499889 0.183814 0.842603 ] [ 0.999889 0.816186 0.157397 ] [ 0.75 0.68124 0.413886 ] [ 0.000111 0.683814 0.657397 ] [ 0.75 0.516781 0.917251 ] [ 0.999889 0.316186 0.342603 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.40096946 "source-unit" "angstrom" } "b" { "source-value" 9.4137481 "source-unit" "angstrom" } "c" { "source-value" 12.98188579 "source-unit" "angstrom" } }