{ "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" [ [ 0.232841 0.904247 0.555304 ] [ 0.232841 0.095753 0.055304 ] [ 0.767159 0.904247 0.944696 ] [ 0.767159 0.095753 0.444696 ] [ 0.732841 0.404247 0.555304 ] [ 0.732841 0.595753 0.055304 ] [ 0.267159 0.404247 0.944696 ] [ 0.267159 0.595753 0.444696 ] [ 0.878827 0.247691 0.983226 ] [ 0.878827 0.752309 0.483226 ] [ 0.121173 0.247691 0.516774 ] [ 0.121173 0.752309 0.016774 ] [ 0.378827 0.747691 0.983226 ] [ 0.378827 0.252309 0.483226 ] [ 0.621173 0.747691 0.516774 ] [ 0.621173 0.252309 0.016774 ] [ 0.355468 0.105297 0.822939 ] [ 0.355468 0.894703 0.322939 ] [ 0 0.058864 0.75 ] [ 0 0.941136 0.25 ] [ 0.644532 0.105297 0.677061 ] [ 0.644532 0.894703 0.177061 ] [ 0.855468 0.605297 0.822939 ] [ 0.855468 0.394703 0.322939 ] [ 0.5 0.558864 0.75 ] [ 0.5 0.441136 0.25 ] [ 0.144532 0.605297 0.677061 ] [ 0.144532 0.394703 0.177061 ] [ 0.088212 0.96066 0.884901 ] [ 0.088212 0.03934 0.384901 ] [ 0.310972 0.186925 0.928301 ] [ 0.324801 0.937046 0.811373 ] [ 0.294716 0.162341 0.639947 ] [ 0.310972 0.813075 0.428301 ] [ 0.940288 0.156099 0.822296 ] [ 0.976779 0.628099 0.882916 ] [ 0.324801 0.062954 0.311373 ] [ 0.294716 0.837659 0.139947 ] [ 0.940288 0.843901 0.322296 ] [ 0.023221 0.628099 0.617084 ] [ 0.976779 0.371901 0.382916 ] [ 0.059712 0.156099 0.677704 ] [ 0.705284 0.162341 0.860053 ] [ 0.675199 0.937046 0.688627 ] [ 0.023221 0.371901 0.117084 ] [ 0.059712 0.843901 0.177704 ] [ 0.689028 0.186925 0.571699 ] [ 0.705284 0.837659 0.360053 ] [ 0.675199 0.062954 0.188627 ] [ 0.689028 0.813075 0.071699 ] [ 0.911788 0.96066 0.615099 ] [ 0.911788 0.03934 0.115099 ] [ 0.588212 0.46066 0.884901 ] [ 0.588212 0.53934 0.384901 ] [ 0.810972 0.686925 0.928301 ] [ 0.824801 0.437046 0.811373 ] [ 0.794716 0.662341 0.639947 ] [ 0.810972 0.313075 0.428301 ] [ 0.440288 0.656099 0.822296 ] [ 0.476779 0.128099 0.882916 ] [ 0.824801 0.562954 0.311373 ] [ 0.794716 0.337659 0.139947 ] [ 0.440288 0.343901 0.322296 ] [ 0.523221 0.128099 0.617084 ] [ 0.476779 0.871901 0.382916 ] [ 0.559712 0.656099 0.677704 ] [ 0.205284 0.662341 0.860053 ] [ 0.175199 0.437046 0.688627 ] [ 0.523221 0.871901 0.117084 ] [ 0.559712 0.343901 0.177704 ] [ 0.189028 0.686925 0.571699 ] [ 0.205284 0.337659 0.360053 ] [ 0.175199 0.562954 0.188627 ] [ 0.189028 0.313075 0.071699 ] [ 0.411788 0.46066 0.615099 ] [ 0.411788 0.53934 0.115099 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 13.09174975 "source-unit" "angstrom" } "b" { "source-value" 8.63489812 "source-unit" "angstrom" } "c" { "source-value" 8.80678022 "source-unit" "angstrom" } "beta" { "source-value" 115.89834868 "source-unit" "degree" } }