{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.760723 0.548308 0.553304 ] [ 0.239277 0.048308 0.446696 ] [ 0.239277 0.451692 0.446696 ] [ 0.760723 0.951692 0.553304 ] [ 0.618447 0.25 0.839239 ] [ 0.381553 0.75 0.160761 ] [ 0.715606 0.543366 0.044083 ] [ 0.284394 0.043366 0.955917 ] [ 0.284394 0.456634 0.955917 ] [ 0.387293 0.75 0.785928 ] [ 0.612707 0.25 0.214072 ] [ 0.715606 0.956634 0.044083 ] [ 0.122019 0.585294 0.699712 ] [ 0.106493 0.907425 0.123882 ] [ 0.748448 0.75 0.86558 ] [ 0.251552 0.25 0.13442 ] [ 0.510137 0.499816 0.723079 ] [ 0.877981 0.414706 0.300288 ] [ 0.399783 0.75 0.477774 ] [ 0.600217 0.25 0.522226 ] [ 0.122019 0.914706 0.699712 ] [ 0.893507 0.092575 0.876118 ] [ 0.489863 0.999816 0.276921 ] [ 0.106493 0.592575 0.123882 ] [ 0.489863 0.500184 0.276921 ] [ 0.893507 0.407425 0.876118 ] [ 0.877981 0.085294 0.300288 ] [ 0.510137 0.000184 0.723079 ] [ 0.747365 0.75 0.242912 ] [ 0.252635 0.25 0.757088 ] [ 0.451791 0.878491 0.988862 ] [ 0.548209 0.121509 0.011138 ] [ 0.451791 0.621509 0.988862 ] [ 0.548209 0.378491 0.011138 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.47948783106 "source-unit" "angstrom" } "b" { "source-value" 11.49678624 "source-unit" "angstrom" } "c" { "source-value" 9.5941155633 "source-unit" "angstrom" } "beta" { "source-value" 104.43862995 "source-unit" "degree" } }