{ "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" [ [ 0.222701 0.651155 0.411126 ] [ 0.277299 0.151155 0.088874 ] [ 0.722701 0.848845 0.911126 ] [ 0.777299 0.348845 0.588874 ] [ 0.463897 0.568482 0.789561 ] [ 0.963897 0.931518 0.289561 ] [ 0.036103 0.068482 0.710439 ] [ 0.536103 0.431518 0.210439 ] [ 0.786766 0.113952 0.54876 ] [ 0.355615 0.595641 0.192273 ] [ 0.644385 0.404359 0.807727 ] [ 0.713234 0.613952 0.95124 ] [ 0.281297 0.020671 0.887515 ] [ 0.144385 0.095641 0.307727 ] [ 0.213234 0.886048 0.45124 ] [ 0.855615 0.904359 0.692273 ] [ 0.781297 0.479329 0.387515 ] [ 0.286766 0.386048 0.04876 ] [ 0.283885 0.734644 0.774551 ] [ 0.218703 0.520671 0.612485 ] [ 0.718703 0.979329 0.112485 ] [ 0.716115 0.265356 0.225449 ] [ 0.783885 0.765356 0.274551 ] [ 0.216115 0.234644 0.725449 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "I" "I" "I" "I" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.18947275727 "source-unit" "angstrom" } "b" { "source-value" 14.20246116 "source-unit" "angstrom" } "c" { "source-value" 13.0886727683 "source-unit" "angstrom" } "beta" { "source-value" 94.4534405209 "source-unit" "degree" } }