{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.221608 0.88929 ] [ 0 0.221608 0.61071 ] [ 0 0.778392 0.11071 ] [ 0 0.778392 0.38929 ] [ 0.5 0.721608 0.88929 ] [ 0.5 0.721608 0.61071 ] [ 0.5 0.278392 0.11071 ] [ 0.5 0.278392 0.38929 ] [ 0.5 0.202338 0.75 ] [ 0.5 0.797662 0.25 ] [ 0 0.702338 0.75 ] [ 0 0.297662 0.25 ] [ 0.5 0.087569 0.86161 ] [ 0.5 0.087569 0.63839 ] [ 0.5 0.912431 0.13839 ] [ 0.5 0.912431 0.36161 ] [ 0 0.151942 0.049382 ] [ 0 0.151942 0.450618 ] [ 0 0.848058 0.950618 ] [ 0 0.848058 0.549382 ] [ 0.5 0.821432 0.75 ] [ 0.5 0.178568 0.25 ] [ 0 0.587569 0.86161 ] [ 0 0.587569 0.63839 ] [ 0 0.412431 0.13839 ] [ 0 0.412431 0.36161 ] [ 0.5 0.651942 0.049382 ] [ 0.5 0.651942 0.450618 ] [ 0.5 0.348058 0.950618 ] [ 0.5 0.348058 0.549382 ] [ 0 0.321432 0.75 ] [ 0 0.678568 0.25 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ni" "Ni" "Ni" "Ni" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.5123192065 "source-unit" "angstrom" } "b" { "source-value" 13.62804476 "source-unit" "angstrom" } "c" { "source-value" 15.7868640831 "source-unit" "angstrom" } }