{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.336507 ] [ 0.5 0.5 0.836507 ] [ 0 0 0.663493 ] [ 0.5 0.5 0.163493 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.724406 0.724406 0 ] [ 0.775594 0.224406 0.5 ] [ 0.224406 0.775594 0.5 ] [ 0.275594 0.275594 0 ] [ 0.685463 0.685463 0.355537 ] [ 0.314537 0.314537 0.355537 ] [ 0.314537 0.314537 0.644463 ] [ 0.185463 0.814537 0.144463 ] [ 0.814537 0.185463 0.144463 ] [ 0.814537 0.185463 0.855537 ] [ 0.185463 0.814537 0.855537 ] [ 0.685463 0.685463 0.644463 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "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" 5.15699204 "source-unit" "angstrom" } "c" { "source-value" 10.28026277 "source-unit" "angstrom" } }