{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.583928 0.75 0.308424 ] [ 0.416072 0.25 0.691576 ] [ 0.416072 0.75 0.808424 ] [ 0.583928 0.25 0.191576 ] [ 0.656192 0.25 0.514684 ] [ 0.343808 0.25 0.014684 ] [ 0.343808 0.75 0.485316 ] [ 0.656192 0.75 0.985316 ] [ 0.228424 0.25 0.378437 ] [ 0.771576 0.25 0.878437 ] [ 0.228424 0.75 0.121563 ] [ 0.771576 0.75 0.621563 ] [ 0.511967 0.993893 0.881714 ] [ 0.488033 0.006107 0.118286 ] [ 0.860945 0.75 0.539398 ] [ 0.040955 0.25 0.686311 ] [ 0.139055 0.25 0.460602 ] [ 0.506317 0.5 0.75 ] [ 0.493683 0 0.25 ] [ 0.488033 0.506107 0.381714 ] [ 0.488033 0.493893 0.118286 ] [ 0.040955 0.75 0.813689 ] [ 0.511967 0.506107 0.881714 ] [ 0.493683 0.5 0.25 ] [ 0.511967 0.006107 0.618286 ] [ 0.139055 0.75 0.039398 ] [ 0.506317 0 0.75 ] [ 0.959045 0.75 0.313689 ] [ 0.511967 0.493893 0.618286 ] [ 0.860945 0.25 0.960602 ] [ 0.488033 0.993893 0.381714 ] [ 0.959045 0.25 0.186311 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.34565378 "source-unit" "angstrom" } "b" { "source-value" 5.28927077 "source-unit" "angstrom" } "c" { "source-value" 20.28161583 "source-unit" "angstrom" } }