{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.252204 ] [ 0.5 0 0.747796 ] [ 0 0.5 0.914986 ] [ 0 0.5 0.583337 ] [ 0.5 0 0.085014 ] [ 0.5 0 0.416663 ] [ 0.195796 0.695796 0.420565 ] [ 0.198383 0.698383 0.081436 ] [ 0.201234 0.701234 0.747127 ] [ 0.701234 0.798766 0.252873 ] [ 0.698383 0.801617 0.918564 ] [ 0.695796 0.804204 0.579435 ] [ 0.304204 0.195796 0.579435 ] [ 0.301617 0.198383 0.918564 ] [ 0.298766 0.201234 0.252873 ] [ 0.798766 0.298766 0.747127 ] [ 0.801617 0.301617 0.081436 ] [ 0.804204 0.304204 0.420565 ] ] } "species" { "source-value" [ "Li" "Li" "Ag" "Ag" "Ag" "Ag" "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" 4.91988515 "source-unit" "angstrom" } "c" { "source-value" 10.23238081 "source-unit" "angstrom" } }