{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.021478 0.75 0.534316 ] [ 0.521478 0.25 0.965684 ] [ 0.978522 0.25 0.465684 ] [ 0.478522 0.75 0.034316 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.322525 0.906057 0.747053 ] [ 0.822525 0.093943 0.752947 ] [ 0.677475 0.406057 0.252947 ] [ 0.177475 0.593943 0.247053 ] [ 0.677475 0.093943 0.252947 ] [ 0.177475 0.906057 0.247053 ] [ 0.322525 0.593943 0.747053 ] [ 0.822525 0.406057 0.752947 ] [ 0.740517 0.75 0.292716 ] [ 0.240517 0.25 0.207284 ] [ 0.259483 0.25 0.707284 ] [ 0.759483 0.75 0.792716 ] [ 0.608052 0.962041 0.858637 ] [ 0.108052 0.037959 0.641363 ] [ 0.391948 0.462041 0.141363 ] [ 0.891948 0.537959 0.358637 ] [ 0.391948 0.037959 0.141363 ] [ 0.891948 0.962041 0.358637 ] [ 0.608052 0.537959 0.858637 ] [ 0.108052 0.462041 0.641363 ] [ 0.95602 0.75 0.14405 ] [ 0.45602 0.25 0.35595 ] [ 0.04398 0.25 0.85595 ] [ 0.54398 0.75 0.64405 ] [ 0.883472 0.25 0.153941 ] [ 0.616528 0.25 0.653941 ] [ 0.116528 0.75 0.846059 ] [ 0.383472 0.75 0.346059 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.72472906 "source-unit" "angstrom" } "b" { "source-value" 10.761839 "source-unit" "angstrom" } "c" { "source-value" 14.46681647 "source-unit" "angstrom" } }