{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.251483 0.50648 0.242026 ] [ 0.244618 0.504432 0.757673 ] [ 0.748517 0.00648 0.757974 ] [ 0.755382 0.004432 0.242327 ] [ 0.735423 0.507346 0.002543 ] [ 0.752613 0.50367 0.485025 ] [ 0.264577 0.007346 0.997457 ] [ 0.247387 0.00367 0.514975 ] [ 0.44886 0.296294 0.999951 ] [ 0.758434 0.500748 0.253285 ] [ 0.55114 0.796294 0.000049 ] [ 0.241566 0.000748 0.746715 ] [ 0.554688 0.1965 0.49905 ] [ 0.93986 0.17944 0.999828 ] [ 0.05872 0.309204 0.498455 ] [ 0.768968 0.495944 0.749224 ] [ 0.445312 0.6965 0.50095 ] [ 0.06014 0.67944 0.000172 ] [ 0.94128 0.809204 0.501545 ] [ 0.231032 0.995944 0.250776 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ti" "Ti" "Ti" "Ti" "N" "N" "N" "N" "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" 5.57518365 "source-unit" "angstrom" } "b" { "source-value" 5.56376655 "source-unit" "angstrom" } "c" { "source-value" 8.06911916 "source-unit" "angstrom" } "beta" { "source-value" 90.089008 "source-unit" "degree" } }