{ "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 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.473362 0.75 0.893292 ] [ 0.100523 0.25 0.683575 ] [ 0.526638 0.25 0.106708 ] [ 0.899477 0.75 0.316425 ] [ 0.740195 0.75 0.085484 ] [ 0.182863 0.75 0.942058 ] [ 0.079216 0.58275 0.328013 ] [ 0.685013 0.75 0.440306 ] [ 0.465573 0.080413 0.203027 ] [ 0.259805 0.25 0.914516 ] [ 0.920784 0.08275 0.671987 ] [ 0.314987 0.25 0.559694 ] [ 0.817137 0.25 0.057942 ] [ 0.534427 0.919587 0.796973 ] [ 0.920784 0.41725 0.671987 ] [ 0.465573 0.419587 0.203027 ] [ 0.079216 0.91725 0.328013 ] [ 0.534427 0.580413 0.796973 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "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" 5.11381486611 "source-unit" "angstrom" } "b" { "source-value" 8.13709049 "source-unit" "angstrom" } "c" { "source-value" 7.44759332508 "source-unit" "angstrom" } "beta" { "source-value" 107.097356245 "source-unit" "degree" } }