{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.355965 0.642079 ] [ 0.75 0.855965 0.857921 ] [ 0.75 0.644035 0.357921 ] [ 0.25 0.144035 0.142079 ] [ 0.75 0.313067 0.896875 ] [ 0.25 0.686933 0.103125 ] [ 0.25 0.813067 0.603125 ] [ 0.75 0.186933 0.396875 ] [ 0.94861 0.276746 0.39359 ] [ 0.44861 0.776746 0.10641 ] [ 0.55139 0.223254 0.89359 ] [ 0.94861 0.223254 0.89359 ] [ 0.55139 0.276746 0.39359 ] [ 0.44861 0.723254 0.60641 ] [ 0.05139 0.776746 0.10641 ] [ 0.05139 0.723254 0.60641 ] [ 0.75 0.452152 0.757394 ] [ 0.75 0.056269 0.543108 ] [ 0.25 0.952152 0.742606 ] [ 0.25 0.547848 0.242606 ] [ 0.75 0.047848 0.257394 ] [ 0.25 0.943731 0.456892 ] [ 0.75 0.443731 0.043108 ] [ 0.25 0.556269 0.956892 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57867615 "source-unit" "angstrom" } "b" { "source-value" 7.92402271 "source-unit" "angstrom" } "c" { "source-value" 8.33900111 "source-unit" "angstrom" } }