{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.26521 0.243987 0.5 ] [ 0.756013 0.26521 0 ] [ 0.243987 0.73479 0 ] [ 0.73479 0.756013 0.5 ] [ 0.286762 0.148866 0.200428 ] [ 0.851134 0.286762 0.700428 ] [ 0.148866 0.713238 0.700428 ] [ 0.713238 0.851134 0.200428 ] [ 0.713238 0.851134 0.799572 ] [ 0.148866 0.713238 0.299572 ] [ 0.851134 0.286762 0.299572 ] [ 0.286762 0.148866 0.799572 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.227883 0.229841 0.097587 ] [ 0.770159 0.227883 0.597587 ] [ 0.229841 0.772117 0.597587 ] [ 0.772117 0.770159 0.097587 ] [ 0.772117 0.770159 0.902413 ] [ 0.229841 0.772117 0.402413 ] [ 0.770159 0.227883 0.402413 ] [ 0.227883 0.229841 0.902413 ] [ 0.182784 0.378372 0.286824 ] [ 0.621628 0.182784 0.786824 ] [ 0.378372 0.817216 0.786824 ] [ 0.817216 0.621628 0.286824 ] [ 0.817216 0.621628 0.713176 ] [ 0.378372 0.817216 0.213176 ] [ 0.621628 0.182784 0.213176 ] [ 0.182784 0.378372 0.713176 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.78066336 "source-unit" "angstrom" } "c" { "source-value" 15.24357084 "source-unit" "angstrom" } }