{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.166843 0.666843 0.145814 ] [ 0.333157 0.166843 0.145814 ] [ 0.666843 0.833157 0.145814 ] [ 0.666843 0.833157 0.854186 ] [ 0.333157 0.166843 0.854186 ] [ 0.166843 0.666843 0.854186 ] [ 0.833157 0.333157 0.854186 ] [ 0.833157 0.333157 0.145814 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.666843 0.166843 0.645814 ] [ 0.833157 0.666843 0.645814 ] [ 0.166843 0.333157 0.645814 ] [ 0.166843 0.333157 0.354186 ] [ 0.833157 0.666843 0.354186 ] [ 0.666843 0.166843 0.354186 ] [ 0.333157 0.833157 0.354186 ] [ 0.333157 0.833157 0.645814 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0.372525 0.872525 0 ] [ 0.127475 0.372525 0 ] [ 0.872525 0.627475 0 ] [ 0.627475 0.127475 0 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.872525 0.372525 0.5 ] [ 0.627475 0.872525 0.5 ] [ 0.372525 0.127475 0.5 ] [ 0.127475 0.627475 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.03831794808 "source-unit" "angstrom" } "c" { "source-value" 14.859754117 "source-unit" "angstrom" } }