{ "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" [ [ 0.782453 0.517165 0.907005 ] [ 0.717547 0.017165 0.592995 ] [ 0.282453 0.982835 0.407005 ] [ 0.217547 0.482835 0.092995 ] [ 0.727623 0.500112 0.223577 ] [ 0.772377 0.000112 0.276423 ] [ 0.272377 0.499888 0.776423 ] [ 0.837536 0.0167 0.886225 ] [ 0.337536 0.4833 0.386225 ] [ 0.162464 0.9833 0.113775 ] [ 0.662464 0.5167 0.613775 ] [ 0.227623 0.999888 0.723577 ] [ 0.573715 0.120145 0.074115 ] [ 0.426285 0.879855 0.925885 ] [ 0.926285 0.620145 0.425885 ] [ 0.073715 0.379855 0.574115 ] [ 0.073769 0.716468 0.274532 ] [ 0.588661 0.788656 0.076394 ] [ 0.088661 0.711344 0.576394 ] [ 0.411339 0.211344 0.923606 ] [ 0.911339 0.288656 0.423606 ] [ 0.426231 0.216468 0.225468 ] [ 0.926231 0.283532 0.725468 ] [ 0.573769 0.783532 0.774532 ] [ 0.868751 0.242322 0.073025 ] [ 0.631249 0.742322 0.426975 ] [ 0.131249 0.757678 0.926975 ] [ 0.368751 0.257678 0.573025 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.48128505264 "source-unit" "angstrom" } "b" { "source-value" 7.23212886 "source-unit" "angstrom" } "c" { "source-value" 13.0263339082 "source-unit" "angstrom" } "beta" { "source-value" 91.3771724341 "source-unit" "degree" } }