{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.944727 0.373332 ] [ 0 0.055273 0.626668 ] [ 0 0.555273 0.873332 ] [ 0 0.181195 0.914335 ] [ 0 0.818805 0.085665 ] [ 0 0.681195 0.585665 ] [ 0 0.318805 0.414335 ] [ 0 0.444727 0.126668 ] [ 0.5 0.368173 0.819038 ] [ 0.5 0.980479 0.212893 ] [ 0.5 0.554646 0.436703 ] [ 0.5 0.296898 0.238157 ] [ 0.5 0.203102 0.738157 ] [ 0.5 0.102426 0.47237 ] [ 0.5 0.796898 0.261843 ] [ 0.5 0.445354 0.563297 ] [ 0.5 0.246875 0.578027 ] [ 0.5 0.480479 0.287107 ] [ 0.5 0.703102 0.761843 ] [ 0.5 0.753125 0.421973 ] [ 0.5 0.519521 0.712893 ] [ 0.5 0.897574 0.52763 ] [ 0.5 0.054646 0.063297 ] [ 0.5 0.602426 0.02763 ] [ 0.5 0.746875 0.921973 ] [ 0.5 0.019521 0.787107 ] [ 0.5 0.397574 0.97237 ] [ 0.5 0.945354 0.936703 ] [ 0.5 0.631827 0.180962 ] [ 0.5 0.253125 0.078027 ] [ 0.5 0.868173 0.680962 ] [ 0.5 0.131827 0.319038 ] [ 0 0.141226 0.179947 ] [ 0 0.358774 0.679947 ] [ 0 0.858774 0.820053 ] [ 0 0.641226 0.320053 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.46592783 "source-unit" "angstrom" } "b" { "source-value" 8.9293428 "source-unit" "angstrom" } "c" { "source-value" 11.19848763 "source-unit" "angstrom" } }