{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.136084 0.5 ] [ 0.5 0.137372 0 ] [ 0.5 0.862628 0 ] [ 0 0.863916 0.5 ] [ 0.5 0.636084 0.5 ] [ 0 0.637372 0 ] [ 0 0.362628 0 ] [ 0.5 0.363916 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.745671 0 0.744394 ] [ 0.745671 0 0.255606 ] [ 0.254329 0 0.744394 ] [ 0.254329 0 0.255606 ] [ 0 0.180077 0 ] [ 0.5 0.178857 0.5 ] [ 0.5 0.821143 0.5 ] [ 0 0.819923 0 ] [ 0.245671 0.5 0.744394 ] [ 0.245671 0.5 0.255606 ] [ 0.754329 0.5 0.744394 ] [ 0.754329 0.5 0.255606 ] [ 0.5 0.680077 0 ] [ 0 0.678857 0.5 ] [ 0 0.321143 0.5 ] [ 0.5 0.319923 0 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "Fe" "Fe" "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" 5.37715852 "source-unit" "angstrom" } "b" { "source-value" 12.94456691 "source-unit" "angstrom" } "c" { "source-value" 5.39743925 "source-unit" "angstrom" } }