{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.01966 0.25 ] [ 0.5 0.98034 0.75 ] [ 0.75 0.75 0.009969 ] [ 0.75 0.25 0.990031 ] [ 0.25 0.25 0.990031 ] [ 0.25 0.75 0.009969 ] [ 0 0.51966 0.75 ] [ 0 0.48034 0.25 ] [ 0.25 0.25 0.509969 ] [ 0.25 0.75 0.490031 ] [ 0.75 0.75 0.490031 ] [ 0.75 0.25 0.509969 ] [ 0 0.999904 0.25 ] [ 0 0.000096 0.75 ] [ 0.5 0.499904 0.75 ] [ 0.5 0.500096 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Si" "Si" "Si" "Si" "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" 6.58157652 "source-unit" "angstrom" } "b" { "source-value" 6.58955059 "source-unit" "angstrom" } "c" { "source-value" 9.30770338 "source-unit" "angstrom" } }