{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.851435 0.299857 0.53903 ] [ 0.139123 0.70162 0.882224 ] [ 0.860877 0.70162 0.117776 ] [ 0.148565 0.299857 0.46097 ] [ 0.351435 0.799857 0.53903 ] [ 0.639123 0.20162 0.882224 ] [ 0.360877 0.20162 0.117776 ] [ 0.648565 0.799857 0.46097 ] [ 0 0.071356 0 ] [ 0.5 0.571356 0 ] [ 0.916588 0.930148 0.796334 ] [ 0.918359 0.208447 0.067825 ] [ 0.081641 0.208447 0.932175 ] [ 0.083412 0.930148 0.203666 ] [ 0.416588 0.430148 0.796334 ] [ 0.418359 0.708447 0.067825 ] [ 0.581641 0.708447 0.932175 ] [ 0.583412 0.430148 0.203666 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "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" 11.4441471886 "source-unit" "angstrom" } "b" { "source-value" 5.97415592432 "source-unit" "angstrom" } "c" { "source-value" 6.11134393504 "source-unit" "angstrom" } "beta" { "source-value" 116.281077867 "source-unit" "degree" } }