{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.1665 0.1665 0.170294 ] [ 0.1665 0.8335 0.829706 ] [ 0.8335 0.8335 0.170294 ] [ 0.8335 0.1665 0.829706 ] [ 0.6665 0.6665 0.670294 ] [ 0.6665 0.3335 0.329706 ] [ 0.3335 0.3335 0.670294 ] [ 0.3335 0.6665 0.329706 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.913943 0.086057 0.36319 ] [ 0.913943 0.913943 0.63681 ] [ 0.086057 0.086057 0.63681 ] [ 0.086057 0.913943 0.36319 ] [ 0.413943 0.586057 0.86319 ] [ 0.413943 0.413943 0.13681 ] [ 0.586057 0.586057 0.13681 ] [ 0.586057 0.413943 0.86319 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "C" "C" "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" 9.76962297119 "source-unit" "angstrom" } "c" { "source-value" 5.9557742445 "source-unit" "angstrom" } }