{ "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" [ [ 0.06959 0.064973 0.322365 ] [ 0.06959 0.435027 0.322365 ] [ 0.93041 0.564973 0.677635 ] [ 0.93041 0.935027 0.677635 ] [ 0.489146 0.25 0.148663 ] [ 0.592268 0.25 0.550991 ] [ 0.407732 0.75 0.449009 ] [ 0.510854 0.75 0.851337 ] [ 0.681649 0.75 0.179539 ] [ 0.318351 0.25 0.820461 ] [ 0.334659 0.095898 0.173917 ] [ 0.154089 0.094548 0.805107 ] [ 0.154089 0.405452 0.805107 ] [ 0.192947 0.75 0.759167 ] [ 0.845911 0.905452 0.194893 ] [ 0.845911 0.594548 0.194893 ] [ 0.807053 0.25 0.240833 ] [ 0.755318 0.404013 0.529657 ] [ 0.755318 0.095987 0.529657 ] [ 0.712106 0.75 0.554147 ] [ 0.464583 0.75 0.020578 ] [ 0.447871 0.75 0.281288 ] [ 0.244682 0.904013 0.470343 ] [ 0.665341 0.595898 0.826083 ] [ 0.334659 0.404102 0.173917 ] [ 0.665341 0.904102 0.826083 ] [ 0.552129 0.25 0.718712 ] [ 0.535417 0.25 0.979422 ] [ 0.287894 0.25 0.445853 ] [ 0.244682 0.595987 0.470343 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "P" "P" "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" 4.76921531547 "source-unit" "angstrom" } "b" { "source-value" 8.30968902 "source-unit" "angstrom" } "c" { "source-value" 9.18943411445 "source-unit" "angstrom" } "beta" { "source-value" 102.382026709 "source-unit" "degree" } }