{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.721586 0.808691 0.367557 ] [ 0.191309 0.721586 0.632443 ] [ 0.808691 0.278414 0.632443 ] [ 0.278414 0.191309 0.367557 ] [ 0.221586 0.308691 0.867557 ] [ 0.691309 0.221586 0.132443 ] [ 0.308691 0.778414 0.132443 ] [ 0.778414 0.691309 0.867557 ] [ 0.73712 0.163165 0.667684 ] [ 0.618253 0.097685 0.090386 ] [ 0.902315 0.618253 0.909614 ] [ 0.097685 0.381747 0.909614 ] [ 0.163165 0.26288 0.332316 ] [ 0.836835 0.73712 0.332316 ] [ 0.381747 0.902315 0.090386 ] [ 0.26288 0.836835 0.667684 ] [ 0.23712 0.663165 0.167684 ] [ 0.118253 0.597685 0.590386 ] [ 0.402315 0.118253 0.409614 ] [ 0.597685 0.881747 0.409614 ] [ 0.663165 0.76288 0.832316 ] [ 0.336835 0.23712 0.832316 ] [ 0.881747 0.402315 0.590386 ] [ 0.76288 0.336835 0.167684 ] ] } "species" { "source-value" [ "Rb" "Rb" "La" "La" "Si" "Si" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.62196673751 "source-unit" "angstrom" } "c" { "source-value" 6.94835349116 "source-unit" "angstrom" } }