{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cb" } "basis-atom-coordinates" { "source-value" [ [ 0.999615 0 0 ] [ 0.499615 0 0 ] [ 0.499615 0.5 0.5 ] [ 0.999615 0.5 0.5 ] [ 0.498333 0.892551 0.876536 ] [ 0.497918 0.253796 0.944902 ] [ 0.997918 0.746204 0.944902 ] [ 0.497918 0.746204 0.055098 ] [ 0.997918 0.253796 0.055098 ] [ 0.998333 0.107449 0.876536 ] [ 0.498333 0.107449 0.123464 ] [ 0.998333 0.892551 0.123464 ] [ 0.998333 0.392551 0.376536 ] [ 0.997918 0.753796 0.444902 ] [ 0.497918 0.246204 0.444902 ] [ 0.997918 0.246204 0.555098 ] [ 0.497918 0.753796 0.555098 ] [ 0.498333 0.607449 0.376536 ] [ 0.998333 0.607449 0.623464 ] [ 0.498333 0.392551 0.623464 ] [ 0.49629 0.180634 0.20059 ] [ 0.491171 0.606853 0.091116 ] [ 0.991171 0.393147 0.091116 ] [ 0.491171 0.393147 0.908884 ] [ 0.99629 0.819366 0.20059 ] [ 0.991171 0.606853 0.908884 ] [ 0.99629 0.180634 0.79941 ] [ 0.49629 0.819366 0.79941 ] [ 0.99629 0.680634 0.70059 ] [ 0.991171 0.106853 0.591116 ] [ 0.491171 0.893147 0.591116 ] [ 0.991171 0.893147 0.408884 ] [ 0.49629 0.319366 0.70059 ] [ 0.491171 0.106853 0.408884 ] [ 0.49629 0.680634 0.29941 ] [ 0.99629 0.319366 0.29941 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 5.87399989255 "source-unit" "angstrom" } "b" { "source-value" 7.11272432277 "source-unit" "angstrom" } "c" { "source-value" 14.2540697221 "source-unit" "angstrom" } }