{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.173382 0.524655 ] [ 0 0.826618 0.475345 ] [ 0.5 0.826618 0.024655 ] [ 0.5 0.173382 0.975345 ] [ 0.5 0.673382 0.524655 ] [ 0.5 0.326618 0.475345 ] [ 0 0.326618 0.024655 ] [ 0 0.673382 0.975345 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.890281 0.080876 ] [ 0.5 0.109719 0.580876 ] [ 0.25 0.248864 0.25 ] [ 0.25 0.020243 0.25 ] [ 0.75 0.751136 0.75 ] [ 0.25 0.979757 0.75 ] [ 0.5 0.890281 0.419124 ] [ 0.75 0.979757 0.75 ] [ 0.75 0.020243 0.25 ] [ 0 0.109719 0.919124 ] [ 0.25 0.751136 0.75 ] [ 0.75 0.248864 0.25 ] [ 0.5 0.390281 0.080876 ] [ 0 0.609719 0.580876 ] [ 0.75 0.748864 0.25 ] [ 0.75 0.520243 0.25 ] [ 0.25 0.251136 0.75 ] [ 0.75 0.479757 0.75 ] [ 0 0.390281 0.419124 ] [ 0.25 0.479757 0.75 ] [ 0.25 0.520243 0.25 ] [ 0.5 0.609719 0.919124 ] [ 0.75 0.251136 0.75 ] [ 0.25 0.748864 0.25 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Mo" "Mo" "Mo" "Mo" "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" 5.44660314614 "source-unit" "angstrom" } "b" { "source-value" 16.8993292769 "source-unit" "angstrom" } "c" { "source-value" 5.46401846 "source-unit" "angstrom" } }