{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.107473 0.205639 0.07774 ] [ 0.107473 0.794361 0.57774 ] [ 0.892527 0.794361 0.92226 ] [ 0.892527 0.205639 0.42226 ] [ 0.607473 0.705639 0.07774 ] [ 0.607473 0.294361 0.57774 ] [ 0.392527 0.294361 0.92226 ] [ 0.392527 0.705639 0.42226 ] [ 0 0.936336 0.25 ] [ 0 0.063664 0.75 ] [ 0.5 0.436336 0.25 ] [ 0.5 0.563664 0.75 ] [ 0.089626 0.399189 0.422431 ] [ 0.089626 0.600811 0.922431 ] [ 0.218768 0.918674 0.31901 ] [ 0.218768 0.081326 0.81901 ] [ 0.781232 0.918674 0.18099 ] [ 0.781232 0.081326 0.68099 ] [ 0.910374 0.399189 0.077569 ] [ 0.910374 0.600811 0.577569 ] [ 0.589626 0.899189 0.422431 ] [ 0.589626 0.100811 0.922431 ] [ 0.718768 0.418674 0.31901 ] [ 0.718768 0.581326 0.81901 ] [ 0.281232 0.418674 0.18099 ] [ 0.281232 0.581326 0.68099 ] [ 0.410374 0.899189 0.077569 ] [ 0.410374 0.100811 0.577569 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.3128298 "source-unit" "angstrom" } "b" { "source-value" 6.40719197 "source-unit" "angstrom" } "c" { "source-value" 6.96031987 "source-unit" "angstrom" } "beta" { "source-value" 97.97300083 "source-unit" "degree" } }