{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.257126 0.724583 0.022485 ] [ 0.742874 0.224583 0.477515 ] [ 0.742874 0.275417 0.977515 ] [ 0.257126 0.775417 0.522485 ] [ 0.242123 0.081692 0.181802 ] [ 0.757877 0.581692 0.318198 ] [ 0.757877 0.918308 0.818198 ] [ 0.242123 0.418308 0.681802 ] [ 0.251364 0.415674 0.261245 ] [ 0.251364 0.084326 0.761245 ] [ 0.748636 0.584326 0.738755 ] [ 0.748636 0.915674 0.238755 ] [ 0.068038 0.15239 0.773732 ] [ 0.931962 0.65239 0.726268 ] [ 0.931962 0.84761 0.226268 ] [ 0.068038 0.34761 0.273732 ] [ 0.42688 0.139076 0.703447 ] [ 0.42688 0.360924 0.203447 ] [ 0.57312 0.860924 0.296553 ] [ 0.57312 0.639076 0.796553 ] [ 0.258738 0.538885 0.310351 ] [ 0.741262 0.038885 0.189649 ] [ 0.741262 0.461115 0.689649 ] [ 0.258738 0.961115 0.810351 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "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" 5.97667949295 "source-unit" "angstrom" } "b" { "source-value" 10.18789235 "source-unit" "angstrom" } "c" { "source-value" 7.65201330845 "source-unit" "angstrom" } "beta" { "source-value" 95.7561490684 "source-unit" "degree" } }