{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.10091 0 0.715094 ] [ 0.184124 0 0.310459 ] [ 0.815876 0 0.689541 ] [ 0.89909 0 0.284906 ] [ 0.60091 0.5 0.715094 ] [ 0.684124 0.5 0.310459 ] [ 0.315876 0.5 0.689541 ] [ 0.39909 0.5 0.284906 ] [ 0.051041 0 0.36125 ] [ 0.755492 0.5 0.648109 ] [ 0.244508 0.5 0.351891 ] [ 0.948959 0 0.63875 ] [ 0.551041 0.5 0.36125 ] [ 0.255492 0 0.648109 ] [ 0.744508 0 0.351891 ] [ 0.448959 0.5 0.63875 ] [ 0.12922 0.5 0.709944 ] [ 0.136317 0 0.008673 ] [ 0.863683 0 0.991327 ] [ 0.87078 0.5 0.290056 ] [ 0.62922 0 0.709944 ] [ 0.636317 0.5 0.008673 ] [ 0.363683 0.5 0.991327 ] [ 0.37078 0 0.290056 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "N" "N" "N" "N" "N" "N" "N" "N" "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" 13.25261575 "source-unit" "angstrom" } "b" { "source-value" 3.90364257 "source-unit" "angstrom" } "c" { "source-value" 6.84775043 "source-unit" "angstrom" } "beta" { "source-value" 107.53797109 "source-unit" "degree" } }