{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.358739 0.328169 0.921989 ] [ 0.936206 0.621956 0.845235 ] [ 0.373845 0.804488 0.807569 ] [ 0.626155 0.304488 0.692431 ] [ 0.063794 0.121956 0.654765 ] [ 0.641261 0.828169 0.578011 ] [ 0.358739 0.171831 0.421989 ] [ 0.936206 0.878044 0.345235 ] [ 0.373845 0.695512 0.307569 ] [ 0.626155 0.195512 0.192431 ] [ 0.063794 0.378044 0.154765 ] [ 0.641261 0.671831 0.078011 ] [ 0.840498 0.087241 0.933909 ] [ 0.159502 0.587241 0.566091 ] [ 0.840498 0.412759 0.433909 ] [ 0.159502 0.912759 0.066091 ] [ 0.748642 0.349105 0.958437 ] [ 0.103434 0.048328 0.905387 ] [ 0.693351 0.941724 0.813188 ] [ 0.306649 0.441724 0.686812 ] [ 0.896566 0.548328 0.594613 ] [ 0.251358 0.849105 0.541563 ] [ 0.748642 0.150895 0.458437 ] [ 0.103434 0.451672 0.405387 ] [ 0.693351 0.558276 0.313188 ] [ 0.306649 0.058276 0.186812 ] [ 0.896566 0.951672 0.094613 ] [ 0.251358 0.650895 0.041563 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Lu" "Lu" "Lu" "Lu" "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" 7.91829418 "source-unit" "angstrom" } "b" { "source-value" 7.30910324 "source-unit" "angstrom" } "c" { "source-value" 11.65734774 "source-unit" "angstrom" } "beta" { "source-value" 94.42624056 "source-unit" "degree" } }