{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd3" } "basis-atom-coordinates" { "source-value" [ [ 0.291326 0 0.5 ] [ 0.25 0.958674 0.75 ] [ 0.5 0 0.291326 ] [ 0 0 0.208674 ] [ 0.25 0.041326 0.25 ] [ 0.041326 0.25 0.25 ] [ 0 0.208674 0 ] [ 0.208674 0 0 ] [ 0.75 0.25 0.958674 ] [ 0.25 0.25 0.041326 ] [ 0 0.291326 0.5 ] [ 0.958674 0.25 0.75 ] [ 0.291326 0.5 0 ] [ 0.25 0.458674 0.25 ] [ 0.5 0.5 0.791326 ] [ 0 0.5 0.708674 ] [ 0.25 0.541326 0.75 ] [ 0.041326 0.75 0.75 ] [ 0 0.708674 0.5 ] [ 0.208674 0.5 0.5 ] [ 0.75 0.75 0.458674 ] [ 0.25 0.75 0.541326 ] [ 0 0.791326 0 ] [ 0.958674 0.75 0.25 ] [ 0.791326 0 0 ] [ 0.75 0.958674 0.25 ] [ 0 0 0.791326 ] [ 0.5 0 0.708674 ] [ 0.75 0.041326 0.75 ] [ 0.541326 0.25 0.75 ] [ 0.5 0.208674 0.5 ] [ 0.708674 0 0.5 ] [ 0.25 0.25 0.458674 ] [ 0.75 0.25 0.541326 ] [ 0.5 0.291326 0 ] [ 0.458674 0.25 0.25 ] [ 0.791326 0.5 0.5 ] [ 0.75 0.458674 0.75 ] [ 0 0.5 0.291326 ] [ 0.5 0.5 0.208674 ] [ 0.75 0.541326 0.25 ] [ 0.541326 0.75 0.25 ] [ 0.5 0.708674 0 ] [ 0.708674 0.5 0 ] [ 0.25 0.75 0.958674 ] [ 0.75 0.75 0.041326 ] [ 0.5 0.791326 0.5 ] [ 0.458674 0.75 0.75 ] [ 0.375 0.875 0.125 ] [ 0.125 0.875 0.375 ] [ 0.625 0.125 0.125 ] [ 0.875 0.125 0.375 ] [ 0.375 0.375 0.625 ] [ 0.125 0.375 0.875 ] [ 0.625 0.625 0.625 ] [ 0.875 0.625 0.875 ] [ 0.875 0.875 0.625 ] [ 0.625 0.875 0.875 ] [ 0.125 0.125 0.625 ] [ 0.375 0.125 0.875 ] [ 0.875 0.375 0.125 ] [ 0.625 0.375 0.375 ] [ 0.125 0.625 0.125 ] [ 0.375 0.625 0.375 ] [ 0 0 0 ] [ 0.25 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.25 ] [ 0.089263 0.089263 0.410737 ] [ 0.589263 0.910737 0.089263 ] [ 0.410737 0.089263 0.089263 ] [ 0.410737 0.910737 0.910737 ] [ 0.839263 0.339263 0.339263 ] [ 0.839263 0.160737 0.160737 ] [ 0.660737 0.339263 0.160737 ] [ 0.160737 0.160737 0.839263 ] [ 0.089263 0.589263 0.910737 ] [ 0.589263 0.410737 0.589263 ] [ 0.410737 0.589263 0.589263 ] [ 0.410737 0.410737 0.410737 ] [ 0.839263 0.839263 0.839263 ] [ 0.839263 0.660737 0.660737 ] [ 0.660737 0.839263 0.660737 ] [ 0.160737 0.660737 0.339263 ] [ 0.589263 0.089263 0.910737 ] [ 0.089263 0.910737 0.589263 ] [ 0.910737 0.089263 0.589263 ] [ 0.910737 0.910737 0.410737 ] [ 0.339263 0.339263 0.839263 ] [ 0.339263 0.160737 0.660737 ] [ 0.160737 0.339263 0.660737 ] [ 0.660737 0.160737 0.339263 ] [ 0.589263 0.589263 0.410737 ] [ 0.089263 0.410737 0.089263 ] [ 0.910737 0.589263 0.089263 ] [ 0.910737 0.410737 0.910737 ] [ 0.339263 0.839263 0.339263 ] [ 0.339263 0.660737 0.160737 ] [ 0.160737 0.839263 0.160737 ] [ 0.660737 0.660737 0.839263 ] [ 0.853127 0.102894 0.230086 ] [ 0.146873 0.102894 0.769914 ] [ 0.147106 0.019914 0.396873 ] [ 0.647106 0.980086 0.103127 ] [ 0.019914 0.103127 0.352894 ] [ 0.070135 0.070135 0.070135 ] [ 0.480086 0.103127 0.147106 ] [ 0.929865 0.070135 0.929865 ] [ 0.070135 0.929865 0.929865 ] [ 0.103127 0.352894 0.019914 ] [ 0.519914 0.896873 0.147106 ] [ 0.929865 0.929865 0.070135 ] [ 0.480086 0.896873 0.852894 ] [ 0.352894 0.019914 0.103127 ] [ 0.352894 0.980086 0.896873 ] [ 0.353127 0.897106 0.269914 ] [ 0.896873 0.352894 0.980086 ] [ 0.897106 0.269914 0.353127 ] [ 0.897106 0.230086 0.146873 ] [ 0.769914 0.353127 0.397106 ] [ 0.320135 0.320135 0.179865 ] [ 0.730086 0.353127 0.102894 ] [ 0.146873 0.897106 0.230086 ] [ 0.320135 0.179865 0.320135 ] [ 0.179865 0.320135 0.320135 ] [ 0.769914 0.146873 0.102894 ] [ 0.179865 0.179865 0.179865 ] [ 0.230086 0.146873 0.897106 ] [ 0.602894 0.269914 0.146873 ] [ 0.102894 0.230086 0.853127 ] [ 0.103127 0.147106 0.480086 ] [ 0.396873 0.147106 0.019914 ] [ 0.853127 0.602894 0.730086 ] [ 0.146873 0.602894 0.269914 ] [ 0.147106 0.519914 0.896873 ] [ 0.647106 0.480086 0.603127 ] [ 0.019914 0.603127 0.852894 ] [ 0.070135 0.570135 0.570135 ] [ 0.480086 0.603127 0.647106 ] [ 0.929865 0.570135 0.429865 ] [ 0.070135 0.429865 0.429865 ] [ 0.103127 0.852894 0.519914 ] [ 0.519914 0.396873 0.647106 ] [ 0.929865 0.429865 0.570135 ] [ 0.480086 0.396873 0.352894 ] [ 0.352894 0.519914 0.603127 ] [ 0.352894 0.480086 0.396873 ] [ 0.353127 0.397106 0.769914 ] [ 0.896873 0.852894 0.480086 ] [ 0.897106 0.769914 0.853127 ] [ 0.897106 0.730086 0.646873 ] [ 0.769914 0.853127 0.897106 ] [ 0.320135 0.820135 0.679865 ] [ 0.730086 0.853127 0.602894 ] [ 0.146873 0.397106 0.730086 ] [ 0.320135 0.679865 0.820135 ] [ 0.179865 0.820135 0.820135 ] [ 0.769914 0.646873 0.602894 ] [ 0.179865 0.679865 0.679865 ] [ 0.230086 0.646873 0.397106 ] [ 0.602894 0.769914 0.646873 ] [ 0.102894 0.730086 0.353127 ] [ 0.103127 0.647106 0.980086 ] [ 0.396873 0.647106 0.519914 ] [ 0.353127 0.102894 0.730086 ] [ 0.646873 0.102894 0.269914 ] [ 0.647106 0.019914 0.896873 ] [ 0.147106 0.980086 0.603127 ] [ 0.519914 0.103127 0.852894 ] [ 0.570135 0.070135 0.570135 ] [ 0.980086 0.103127 0.647106 ] [ 0.429865 0.070135 0.429865 ] [ 0.570135 0.929865 0.429865 ] [ 0.603127 0.352894 0.519914 ] [ 0.019914 0.896873 0.647106 ] [ 0.429865 0.929865 0.570135 ] [ 0.980086 0.896873 0.352894 ] [ 0.852894 0.019914 0.603127 ] [ 0.852894 0.980086 0.396873 ] [ 0.853127 0.897106 0.769914 ] [ 0.396873 0.352894 0.480086 ] [ 0.397106 0.269914 0.853127 ] [ 0.397106 0.230086 0.646873 ] [ 0.269914 0.353127 0.897106 ] [ 0.820135 0.320135 0.679865 ] [ 0.230086 0.353127 0.602894 ] [ 0.646873 0.897106 0.730086 ] [ 0.820135 0.179865 0.820135 ] [ 0.679865 0.320135 0.820135 ] [ 0.269914 0.146873 0.602894 ] [ 0.679865 0.179865 0.679865 ] [ 0.730086 0.146873 0.397106 ] [ 0.102894 0.269914 0.646873 ] [ 0.602894 0.230086 0.353127 ] [ 0.603127 0.147106 0.980086 ] [ 0.896873 0.147106 0.519914 ] [ 0.353127 0.602894 0.230086 ] [ 0.646873 0.602894 0.769914 ] [ 0.647106 0.519914 0.396873 ] [ 0.147106 0.480086 0.103127 ] [ 0.519914 0.603127 0.352894 ] [ 0.570135 0.570135 0.070135 ] [ 0.980086 0.603127 0.147106 ] [ 0.429865 0.570135 0.929865 ] [ 0.570135 0.429865 0.929865 ] [ 0.603127 0.852894 0.019914 ] [ 0.019914 0.396873 0.147106 ] [ 0.429865 0.429865 0.070135 ] [ 0.980086 0.396873 0.852894 ] [ 0.852894 0.519914 0.103127 ] [ 0.852894 0.480086 0.896873 ] [ 0.853127 0.397106 0.269914 ] [ 0.396873 0.852894 0.980086 ] [ 0.397106 0.769914 0.353127 ] [ 0.397106 0.730086 0.146873 ] [ 0.269914 0.853127 0.397106 ] [ 0.820135 0.820135 0.179865 ] [ 0.230086 0.853127 0.102894 ] [ 0.646873 0.397106 0.230086 ] [ 0.820135 0.679865 0.320135 ] [ 0.679865 0.820135 0.320135 ] [ 0.269914 0.646873 0.102894 ] [ 0.679865 0.679865 0.179865 ] [ 0.730086 0.646873 0.897106 ] [ 0.102894 0.769914 0.146873 ] [ 0.602894 0.730086 0.853127 ] [ 0.603127 0.647106 0.480086 ] [ 0.896873 0.647106 0.019914 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "As" "As" "As" "As" "As" "As" "As" "As" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" "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" "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" ] } "a" { "source-value" 14.20787219 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.602944960172414 "source-unit" "eV" } }