{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.089525 0.684435 0.75 ] [ 0.405091 0.089525 0.25 ] [ 0.910475 0.315565 0.25 ] [ 0.594909 0.910475 0.75 ] [ 0.315565 0.405091 0.75 ] [ 0.684435 0.594909 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.806625 0.75892 0.75 ] [ 0.75892 0.952295 0.25 ] [ 0.047705 0.806625 0.25 ] [ 0.193375 0.24108 0.25 ] [ 0.24108 0.047705 0.75 ] [ 0.952295 0.193375 0.75 ] [ 0.36444 0.838668 0.47985 ] [ 0.525772 0.36444 0.97985 ] [ 0.838668 0.474228 0.97985 ] [ 0.161332 0.525772 0.47985 ] [ 0.474228 0.63556 0.47985 ] [ 0.63556 0.161332 0.97985 ] [ 0.63556 0.161332 0.52015 ] [ 0.474228 0.63556 0.02015 ] [ 0.838668 0.474228 0.52015 ] [ 0.525772 0.36444 0.52015 ] [ 0.36444 0.838668 0.02015 ] [ 0.161332 0.525772 0.02015 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "W" "W" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 9.50912869148 "source-unit" "angstrom" } "c" { "source-value" 5.48706293 "source-unit" "angstrom" } }