{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.125402 0.573101 ] [ 0.75 0.124869 0.931046 ] [ 0.75 0.375131 0.431046 ] [ 0.25 0.374598 0.073101 ] [ 0.25 0.624869 0.568954 ] [ 0.75 0.625402 0.926899 ] [ 0.25 0.875131 0.068954 ] [ 0.75 0.874598 0.426899 ] [ 0.25 0.135085 0.319347 ] [ 0.75 0.114786 0.181783 ] [ 0.25 0.364915 0.819347 ] [ 0.75 0.385214 0.681783 ] [ 0.25 0.614786 0.318217 ] [ 0.75 0.635085 0.180653 ] [ 0.25 0.885214 0.818217 ] [ 0.75 0.864915 0.680653 ] [ 0.25 0.125231 0.780127 ] [ 0.025414 0.129864 0.408316 ] [ 0.474586 0.129864 0.408316 ] [ 0.525883 0.120305 0.092612 ] [ 0.974117 0.120305 0.092612 ] [ 0.474586 0.370136 0.908316 ] [ 0.25 0.374769 0.280127 ] [ 0.525883 0.379695 0.592612 ] [ 0.025414 0.370136 0.908316 ] [ 0.974117 0.379695 0.592612 ] [ 0.75 0.625231 0.719873 ] [ 0.525414 0.629864 0.091684 ] [ 0.974586 0.629864 0.091684 ] [ 0.025883 0.620305 0.407388 ] [ 0.474117 0.620305 0.407388 ] [ 0.75 0.874769 0.219873 ] [ 0.025883 0.879695 0.907388 ] [ 0.474117 0.879695 0.907388 ] [ 0.525414 0.870136 0.591684 ] [ 0.974586 0.870136 0.591684 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 6.46081814 "source-unit" "angstrom" } "b" { "source-value" 8.20429347 "source-unit" "angstrom" } "c" { "source-value" 14.73678869 "source-unit" "angstrom" } }