{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.195694 0.695694 0.5 ] [ 0.804306 0.304306 0.5 ] [ 0.695694 0.804306 0.5 ] [ 0.304306 0.195694 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.39612 0.89612 0.793674 ] [ 0.60388 0.10388 0.793674 ] [ 0.10388 0.39612 0.793674 ] [ 0.89612 0.60388 0.793674 ] [ 0.39612 0.89612 0.206326 ] [ 0.89612 0.60388 0.206326 ] [ 0.10388 0.39612 0.206326 ] [ 0.60388 0.10388 0.206326 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.852733 0.352733 0 ] [ 0.352733 0.147267 0 ] [ 0.647267 0.852733 0 ] [ 0.147267 0.647267 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Rb" "Rb" "Rb" "Rb" "Si" "Si" "F" "F" "F" "F" "F" "F" "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" 8.24068833 "source-unit" "angstrom" } "c" { "source-value" 5.95924697 "source-unit" "angstrom" } }