{ "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" [ [ 0.5 0.661675 0 ] [ 0 0.838325 0 ] [ 0 0.161675 0 ] [ 0.5 0.338325 0 ] [ 0.5 0.847665 0.5 ] [ 0 0.652335 0.5 ] [ 0 0.347665 0.5 ] [ 0.5 0.152335 0.5 ] [ 0.799013 0.5 0.289702 ] [ 0.200987 0.5 0.710298 ] [ 0.239755 0.711214 0.262744 ] [ 0.760245 0.711214 0.737256 ] [ 0.260245 0.788786 0.737256 ] [ 0.739755 0.788786 0.262744 ] [ 0.299013 0 0.289702 ] [ 0.700987 0 0.710298 ] [ 0.739755 0.211214 0.262744 ] [ 0.260245 0.211214 0.737256 ] [ 0.760245 0.288786 0.737256 ] [ 0.239755 0.288786 0.262744 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "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" 5.13256777 "source-unit" "angstrom" } "b" { "source-value" 9.74138466 "source-unit" "angstrom" } "c" { "source-value" 5.14699639 "source-unit" "angstrom" } "beta" { "source-value" 103.69244542 "source-unit" "degree" } }