{ "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 0.327853 0.975251 ] [ 0.25 0.172147 0.475251 ] [ 0.75 0.827853 0.524749 ] [ 0.25 0.513026 0.67345 ] [ 0.75 0.986974 0.17345 ] [ 0.25 0.672147 0.024749 ] [ 0.75 0.486974 0.32655 ] [ 0.25 0.013026 0.82655 ] [ 0.75 0.243332 0.690083 ] [ 0.25 0.756668 0.309917 ] [ 0.75 0.743332 0.809917 ] [ 0.25 0.256668 0.190083 ] [ 0.25 0.933525 0.358892 ] [ 0.75 0.360387 0.553235 ] [ 0.25 0.639613 0.446765 ] [ 0.25 0.772739 0.721773 ] [ 0.25 0.433525 0.141108 ] [ 0.75 0.860387 0.946765 ] [ 0.75 0.066475 0.641108 ] [ 0.25 0.272739 0.778227 ] [ 0.75 0.727261 0.221773 ] [ 0.75 0.227261 0.278227 ] [ 0.25 0.139613 0.053235 ] [ 0.75 0.566475 0.858892 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "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" 4.26646298 "source-unit" "angstrom" } "b" { "source-value" 12.68873775 "source-unit" "angstrom" } "c" { "source-value" 13.12384199 "source-unit" "angstrom" } }