{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.622078 ] [ 0 0.5 0.377922 ] [ 0.5 0 0.247937 ] [ 0.242192 0.03742 0.717158 ] [ 0.96258 0.242192 0.282842 ] [ 0.53742 0.257808 0.717158 ] [ 0.257808 0.46258 0.282842 ] [ 0 0.5 0.752063 ] [ 0.742192 0.53742 0.282842 ] [ 0.46258 0.742192 0.717158 ] [ 0.03742 0.757808 0.282842 ] [ 0.757808 0.96258 0.717158 ] ] } "species" { "source-value" [ "V" "V" "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" 6.58723642 "source-unit" "angstrom" } "c" { "source-value" 4.65178936 "source-unit" "angstrom" } }