{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.001123 0.211727 0.003705 ] [ 0.00067 0.243242 0.49764 ] [ 0.64008 0 0.825014 ] [ 0.350597 0 0.18015 ] [ 0.00067 0.756758 0.49764 ] [ 0.001123 0.788273 0.003705 ] [ 0.501123 0.711727 0.003705 ] [ 0.50067 0.743242 0.49764 ] [ 0.14008 0.5 0.825014 ] [ 0.850597 0.5 0.18015 ] [ 0.50067 0.256758 0.49764 ] [ 0.501123 0.288273 0.003705 ] [ 0.811265 0 0.3049 ] [ 0.206947 0 0.670938 ] [ 0.311265 0.5 0.3049 ] [ 0.706947 0.5 0.670938 ] [ 0.697587 0.863925 0.228603 ] [ 0.296924 0.864285 0.778889 ] [ 0.697587 0.136075 0.228603 ] [ 0.057004 0 0.432324 ] [ 0.296924 0.135715 0.778889 ] [ 0.197587 0.363925 0.228603 ] [ 0.796924 0.364285 0.778889 ] [ 0.197587 0.636075 0.228603 ] [ 0.557004 0.5 0.432324 ] [ 0.796924 0.635715 0.778889 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "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" 7.25833943852 "source-unit" "angstrom" } "b" { "source-value" 12.0387748782 "source-unit" "angstrom" } "c" { "source-value" 7.0789080566 "source-unit" "angstrom" } "beta" { "source-value" 93.9947884921 "source-unit" "degree" } }