{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.93862 0 0.656999 ] [ 0.059285 0 0.360088 ] [ 0.43862 0.5 0.656999 ] [ 0.559285 0.5 0.360088 ] [ 0.107152 0.5 0.701966 ] [ 0.88844 0.5 0.274806 ] [ 0.210542 0.5 0.292155 ] [ 0.607152 0 0.701966 ] [ 0.38844 0 0.274806 ] [ 0.710542 0 0.292155 ] [ 0.786852 0.5 0.690681 ] [ 0.286852 0 0.690681 ] [ 0.879028 0 0.328668 ] [ 0.759104 0 0.641022 ] [ 0.155466 0.5 0.014688 ] [ 0.059562 0.5 0.359628 ] [ 0.952132 0.5 0.649071 ] [ 0.854874 0.5 0.006049 ] [ 0.235524 0 0.34283 ] [ 0.113418 0 0.681349 ] [ 0.379028 0.5 0.328668 ] [ 0.259104 0.5 0.641022 ] [ 0.655466 0 0.014688 ] [ 0.559562 0 0.359628 ] [ 0.452132 0 0.649071 ] [ 0.354874 0 0.006049 ] [ 0.735524 0.5 0.34283 ] [ 0.613418 0.5 0.681349 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "Ni" "Ni" "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" 12.12445111 "source-unit" "angstrom" } "b" { "source-value" 4.01696269 "source-unit" "angstrom" } "c" { "source-value" 6.47193007 "source-unit" "angstrom" } "beta" { "source-value" 106.75193897 "source-unit" "degree" } }