{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.234815 0.910135 0.43111 ] [ 0.765185 0.910135 0.06889 ] [ 0.765185 0.089865 0.56889 ] [ 0.234815 0.089865 0.93111 ] [ 0.734815 0.410135 0.43111 ] [ 0.265185 0.410135 0.06889 ] [ 0.265185 0.589865 0.56889 ] [ 0.734815 0.589865 0.93111 ] [ 0.242452 0.801318 0.860479 ] [ 0.757548 0.198682 0.139521 ] [ 0.242452 0.198682 0.360479 ] [ 0.757548 0.801318 0.639521 ] [ 0.742452 0.301318 0.860479 ] [ 0.257548 0.698682 0.139521 ] [ 0.742452 0.698682 0.360479 ] [ 0.257548 0.301318 0.639521 ] [ 0 0.88613 0.75 ] [ 0.5 0.188738 0.25 ] [ 0 0.11387 0.25 ] [ 0.5 0.811262 0.75 ] [ 0.293125 0.138736 0.583817 ] [ 0.706875 0.138736 0.916183 ] [ 0.706875 0.861264 0.416183 ] [ 0.293125 0.861264 0.083817 ] [ 0.5 0.38613 0.75 ] [ 0 0.688738 0.25 ] [ 0.5 0.61387 0.25 ] [ 0 0.311262 0.75 ] [ 0.793125 0.638736 0.583817 ] [ 0.206875 0.638736 0.916183 ] [ 0.206875 0.361264 0.416183 ] [ 0.793125 0.361264 0.083817 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.93429005 "source-unit" "angstrom" } "b" { "source-value" 11.3736714 "source-unit" "angstrom" } "c" { "source-value" 7.95801537 "source-unit" "angstrom" } "beta" { "source-value" 95.99310152 "source-unit" "degree" } }