{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.884867 0 ] [ 0.5 0.384867 0 ] [ 0.288817 0.034968 0.591978 ] [ 0.711183 0.034968 0.408022 ] [ 0.788817 0.534968 0.591978 ] [ 0.211183 0.534968 0.408022 ] [ 0.11141 0.060854 0.281551 ] [ 0.240746 0.896201 0.833611 ] [ 0.854921 0.722232 0.727365 ] [ 0.88859 0.060854 0.718449 ] [ 0.759254 0.896201 0.166389 ] [ 0.145079 0.722232 0.272635 ] [ 0 0.439174 0.5 ] [ 0.61141 0.560854 0.281551 ] [ 0.740746 0.396201 0.833611 ] [ 0.354921 0.222232 0.727365 ] [ 0.38859 0.560854 0.718449 ] [ 0.259254 0.396201 0.166389 ] [ 0.645079 0.222232 0.272635 ] [ 0.5 0.939174 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.81488965264 "source-unit" "angstrom" } "b" { "source-value" 8.22194758139 "source-unit" "angstrom" } "c" { "source-value" 4.83616972164 "source-unit" "angstrom" } "beta" { "source-value" 103.125013864 "source-unit" "degree" } }