{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.75844 0.5 0.907553 ] [ 0.246177 0.278571 0.726661 ] [ 0.246177 0.721429 0.726661 ] [ 0.752927 0.775189 0.273098 ] [ 0.752927 0.224811 0.273098 ] [ 0.242152 0 0.090044 ] [ 0.778486 0 0.660094 ] [ 0.21569 0.5 0.335659 ] [ 0.718952 0.5 0.589951 ] [ 0.28229 0 0.411362 ] [ 0.70466 0 0.967303 ] [ 0.293688 0.5 0.032316 ] [ 0.950278 0 0.930812 ] [ 0.357864 0.5 0.888245 ] [ 0.511062 0 0.856534 ] [ 0.829372 0.314799 0.689332 ] [ 0.829372 0.685201 0.689332 ] [ 0.189303 0 0.578847 ] [ 0.407104 0.5 0.579401 ] [ 0.594895 0 0.423457 ] [ 0.812467 0.5 0.422326 ] [ 0.174571 0.186555 0.31245 ] [ 0.174571 0.813445 0.31245 ] [ 0.48397 0.5 0.145025 ] [ 0.645086 0 0.111984 ] [ 0.04752 0.5 0.066007 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Cr" "P" "P" "C" "C" "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" 5.00722373 "source-unit" "angstrom" } "b" { "source-value" 6.5246348 "source-unit" "angstrom" } "c" { "source-value" 8.60704042 "source-unit" "angstrom" } "beta" { "source-value" 94.35436579 "source-unit" "degree" } }