{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.246925 0.5 0.230763 ] [ 0.983578 0.75781 0.235801 ] [ 0.983578 0.24219 0.235801 ] [ 0.232002 0 0.220019 ] [ 0.767998 0 0.779981 ] [ 0.016422 0.75781 0.764199 ] [ 0.016422 0.24219 0.764199 ] [ 0.753075 0.5 0.769237 ] [ 0.746925 0 0.230763 ] [ 0.483578 0.25781 0.235801 ] [ 0.483578 0.74219 0.235801 ] [ 0.732002 0.5 0.220019 ] [ 0.267998 0.5 0.779981 ] [ 0.516422 0.25781 0.764199 ] [ 0.516422 0.74219 0.764199 ] [ 0.253075 0 0.769237 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.63970669 "source-unit" "angstrom" } "b" { "source-value" 5.95297712 "source-unit" "angstrom" } "c" { "source-value" 5.92213921 "source-unit" "angstrom" } "beta" { "source-value" 123.49596942 "source-unit" "degree" } }