{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.065461 0.5 0.535111 ] [ 0.961482 0 0.138593 ] [ 0.534929 0 0.643513 ] [ 0.473776 0.5 0.355745 ] [ 0.041535 0.5 0.867083 ] [ 0.830065 0 0.771208 ] [ 0.807865 0.5 0.035311 ] [ 0.697207 0.5 0.532434 ] [ 0.678393 0 0.273575 ] [ 0.30825 0.5 0.717529 ] [ 0.291016 0 0.467673 ] [ 0.198742 0 0.964589 ] [ 0.172279 0.5 0.228137 ] ] } "species" { "source-value" [ "Li" "Ti" "Ti" "Ti" "Ti" "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" 5.06662592 "source-unit" "angstrom" } "b" { "source-value" 2.97440986 "source-unit" "angstrom" } "c" { "source-value" 9.63663855 "source-unit" "angstrom" } "beta" { "source-value" 91.11676437 "source-unit" "degree" } }