{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.245251 0.750601 0.506353 ] [ 0.245251 0.249399 0.006353 ] [ 0.745251 0.250601 0.506353 ] [ 0.745251 0.749399 0.006353 ] [ 0.499409 0.351393 0.756473 ] [ 0.999409 0.148607 0.256473 ] [ 0.999409 0.851393 0.756473 ] [ 0.499409 0.648607 0.256473 ] [ 0.109144 0.687891 0.666214 ] [ 0.183052 0.966603 0.968999 ] [ 0.109144 0.312109 0.166214 ] [ 0.993259 0.328095 0.758776 ] [ 0.323836 0.47182 0.543085 ] [ 0.183052 0.033397 0.468999 ] [ 0.493259 0.171905 0.258776 ] [ 0.382049 0.195882 0.845298 ] [ 0.323836 0.52818 0.043085 ] [ 0.382049 0.804118 0.345298 ] [ 0.609144 0.187891 0.666214 ] [ 0.683052 0.466603 0.968999 ] [ 0.609144 0.812109 0.166214 ] [ 0.493259 0.828095 0.758776 ] [ 0.823836 0.97182 0.543085 ] [ 0.683052 0.533397 0.468999 ] [ 0.993259 0.671905 0.258776 ] [ 0.882049 0.695882 0.845298 ] [ 0.823836 0.02818 0.043085 ] [ 0.882049 0.304118 0.345298 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.13542932 "source-unit" "angstrom" } "b" { "source-value" 11.0240206 "source-unit" "angstrom" } "c" { "source-value" 12.09335138 "source-unit" "angstrom" } "beta" { "source-value" 119.59110806 "source-unit" "degree" } }