{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0.438286 0.637735 0.155567 ] [ 0.938286 0.362265 0.155567 ] [ 0.938286 0.862265 0.344433 ] [ 0.438286 0.137735 0.344433 ] [ 0.561714 0.862265 0.655567 ] [ 0.061714 0.137735 0.655567 ] [ 0.061714 0.637735 0.844433 ] [ 0.561714 0.362265 0.844433 ] [ 0.75 0.987243 0 ] [ 0.25 0.012757 0 ] [ 0.25 0.512757 0.5 ] [ 0.75 0.487243 0.5 ] [ 0.005745 0.834454 0.09067 ] [ 0.505745 0.165546 0.09067 ] [ 0.505745 0.665546 0.40933 ] [ 0.005745 0.334454 0.40933 ] [ 0.994255 0.665546 0.59067 ] [ 0.494255 0.334454 0.59067 ] [ 0.494255 0.834454 0.90933 ] [ 0.994255 0.165546 0.90933 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "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" 5.63648052 "source-unit" "angstrom" } "b" { "source-value" 6.52831284 "source-unit" "angstrom" } "c" { "source-value" 10.93176622 "source-unit" "angstrom" } }