{ "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" [ [ 0.191674 0.691674 0.5 ] [ 0.691674 0.808326 0.5 ] [ 0.308326 0.191674 0.5 ] [ 0.808326 0.308326 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.389223 0.889223 0.77913 ] [ 0.610777 0.110777 0.77913 ] [ 0.110777 0.389223 0.77913 ] [ 0.889223 0.610777 0.77913 ] [ 0.389223 0.889223 0.22087 ] [ 0.889223 0.610777 0.22087 ] [ 0.110777 0.389223 0.22087 ] [ 0.610777 0.110777 0.22087 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.841177 0.341177 0 ] [ 0.341177 0.158823 0 ] [ 0.658823 0.841177 0 ] [ 0.158823 0.658823 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "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" 8.22180925 "source-unit" "angstrom" } "c" { "source-value" 5.99770517 "source-unit" "angstrom" } }