{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.682489 0.334184 ] [ 0.25 0.817511 0.834184 ] [ 0.75 0.182489 0.165816 ] [ 0.25 0.317511 0.665816 ] [ 0.75 0.859198 0.063079 ] [ 0.25 0.140802 0.936921 ] [ 0.75 0.359198 0.436921 ] [ 0.25 0.640802 0.563079 ] [ 0.75 0.037721 0.615215 ] [ 0.25 0.962279 0.384785 ] [ 0.75 0.537721 0.884785 ] [ 0.25 0.462279 0.115215 ] [ 0.75 0.271375 0.010455 ] [ 0.25 0.048628 0.097077 ] [ 0.75 0.951372 0.902923 ] [ 0.25 0.548628 0.402923 ] [ 0.75 0.199755 0.727063 ] [ 0.25 0.800245 0.272937 ] [ 0.75 0.699755 0.772937 ] [ 0.25 0.300245 0.227063 ] [ 0.75 0.579974 0.189683 ] [ 0.25 0.420026 0.810317 ] [ 0.75 0.079974 0.310317 ] [ 0.25 0.920026 0.689683 ] [ 0.75 0.771375 0.489545 ] [ 0.25 0.228625 0.510455 ] [ 0.25 0.728625 0.989545 ] [ 0.75 0.451372 0.597077 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 3.76513136 "source-unit" "angstrom" } "b" { "source-value" 11.53220111 "source-unit" "angstrom" } "c" { "source-value" 14.31784608 "source-unit" "angstrom" } }