{ "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" [ [ 0.302857 0.017561 0.302089 ] [ 0.802857 0.482439 0.302089 ] [ 0.697143 0.982439 0.697911 ] [ 0.197143 0.517561 0.697911 ] [ 0.368798 0.632948 0.147041 ] [ 0.631202 0.367052 0.852959 ] [ 0.868798 0.867052 0.147041 ] [ 0.131202 0.132948 0.852959 ] [ 0.830053 0.639521 0.641772 ] [ 0.169947 0.360479 0.358228 ] [ 0.669947 0.139521 0.358228 ] [ 0.330053 0.860479 0.641772 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0414289248 "source-unit" "angstrom" } "b" { "source-value" 5.92488762 "source-unit" "angstrom" } "c" { "source-value" 6.05822342953 "source-unit" "angstrom" } "beta" { "source-value" 112.534069883 "source-unit" "degree" } }