{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.222694 0 0.391945 ] [ 0.777306 0 0.608055 ] [ 0.056637 0.5 0.801827 ] [ 0.943363 0.5 0.198173 ] [ 0.343736 0.5 0.309152 ] [ 0.656264 0.5 0.690848 ] [ 0.722694 0.5 0.391945 ] [ 0.277306 0.5 0.608055 ] [ 0.556637 0 0.801827 ] [ 0.443363 0 0.198173 ] [ 0.843736 0 0.309152 ] [ 0.156264 0 0.690848 ] [ 0.960355 0.5 0.533377 ] [ 0.039645 0.5 0.466623 ] [ 0.925595 0 0.584702 ] [ 0.074405 0 0.415298 ] [ 0.460355 0 0.533377 ] [ 0.539645 0 0.466623 ] [ 0.425595 0.5 0.584702 ] [ 0.574405 0.5 0.415298 ] [ 0.093571 0.5 0.170242 ] [ 0.906429 0.5 0.829758 ] [ 0.799009 0 0.940557 ] [ 0.200991 0 0.059443 ] [ 0.593571 0 0.170242 ] [ 0.406429 0 0.829758 ] [ 0.299009 0.5 0.940557 ] [ 0.700991 0.5 0.059443 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.9138500383 "source-unit" "angstrom" } "b" { "source-value" 4.35223713365 "source-unit" "angstrom" } "c" { "source-value" 17.0904587055 "source-unit" "angstrom" } "beta" { "source-value" 141.533122151 "source-unit" "degree" } }