{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.223695 0.5 0 ] [ 0.5 0.223695 0 ] [ 0 0.723695 0 ] [ 0.723695 0 0 ] [ 0.276305 0 0 ] [ 0 0.276305 0 ] [ 0.5 0.776305 0 ] [ 0.776305 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.431654 0.310918 0.241589 ] [ 0.568346 0.689082 0.241589 ] [ 0.689082 0.431654 0.241589 ] [ 0.310918 0.568346 0.241589 ] [ 0.310918 0.431654 0.758411 ] [ 0.431654 0.689082 0.758411 ] [ 0.568346 0.310918 0.758411 ] [ 0.689082 0.568346 0.758411 ] [ 0.068346 0.189082 0.758411 ] [ 0.931654 0.810918 0.758411 ] [ 0.810918 0.068346 0.758411 ] [ 0.189082 0.931654 0.758411 ] [ 0.189082 0.068346 0.241589 ] [ 0.068346 0.810918 0.241589 ] [ 0.120556 0.379444 0.144714 ] [ 0.379444 0.879444 0.144714 ] [ 0.620556 0.120556 0.144714 ] [ 0.879444 0.620556 0.144714 ] [ 0.879444 0.379444 0.855286 ] [ 0.120556 0.620556 0.855286 ] [ 0.379444 0.120556 0.855286 ] [ 0.620556 0.879444 0.855286 ] [ 0.810918 0.931654 0.241589 ] [ 0.931654 0.189082 0.241589 ] ] } "species" { "source-value" [ "Ca" "Ca" "V" "V" "V" "V" "V" "V" "V" "V" "Ag" "Ag" "Ag" "Ag" "O" "O" "O" "O" "O" "O" "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" 10.5205425 "source-unit" "angstrom" } "c" { "source-value" 5.08292164 "source-unit" "angstrom" } }