{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.69719 7.18145 6.861815 6.629583 6.447077 6.296712 6.168845 6.057612 5.959179 5.870902 5.790879 5.717699 5.650282 5.587787 5.529543 5.47501 5.423742 5.37537 5.329585 5.286123 5.244761 5.205305 5.167587 5.13146 5.106866 5.080981 5.053664 5.024745 4.994026 4.961267 4.926178 4.888403 4.847494 4.802886 4.753841 4.69938 4.638155 4.568245 4.486771 4.389136 4.2673 4.10517 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.69719e-10 7.18145e-10 6.861815000000001e-10 6.629583e-10 6.447077e-10 6.296712e-10 6.168845e-10 6.057612e-10 5.959179e-10 5.870902e-10 5.790879000000001e-10 5.717699e-10 5.650282e-10 5.587787e-10 5.529543000000001e-10 5.47501e-10 5.423742e-10 5.375370000000001e-10 5.329585e-10 5.286123e-10 5.244760999999999e-10 5.205305e-10 5.167587000000001e-10 5.13146e-10 5.106866000000001e-10 5.080981e-10 5.053664000000001e-10 5.024745e-10 4.994026e-10 4.961267e-10 4.926178e-10 4.888403e-10 4.847494e-10 4.802886e-10 4.753841e-10 4.69938e-10 4.638155e-10 4.568245e-10 4.486771e-10 4.389136e-10 4.2673e-10 4.10517e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.519026 0.681069 0.806055 0.912626 1.01468 1.13148 1.27516 1.44223 1.61993 1.79529 1.95943 2.10779 2.23878 2.35249 2.44993 2.53244 2.60145 2.65872 2.70456 2.7403 2.76694 2.78522 2.79579 2.79921 2.79757 2.79221 2.78233 2.76691 2.74466 2.71387 2.67235 2.61715 2.54424 2.44801 2.32038 2.14936 1.91646 1.59166 1.12311 0.413423 -0.743232 -2.868 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.315713227873408e-20 1.0911928289516353e-19 1.291442476078944e-19 1.462188040734221e-19 1.625696573593344e-19 1.812830802902784e-19 2.0430315397793282e-19 2.310707187816384e-19 2.5954139733325444e-19 2.876371665556032e-19 3.139352936094144e-19 3.3770518595560324e-19 3.5869209751146244e-19 3.7691044786657923e-19 3.9252205685965444e-19 4.057416161578752e-19 4.16798237018016e-19 4.2597390252533764e-19 4.333182801550848e-19 4.3904445939782405e-19 4.433126579156352e-19 4.462414367784576e-19 4.479349374666433e-19 4.484828818709569e-19 4.482201249051456e-19 4.4736135823639685e-19 4.457784077350464e-19 4.433078513857728e-19 4.397430084044928e-19 4.348099065890496e-19 4.28157669259488e-19 4.1931365431267205e-19 4.076321845704192e-19 3.922144389484608e-19 3.7176585873719046e-19 3.4436543416826883e-19 3.070507406698368e-19 2.5501204402625283e-19 1.799420584586688e-19 6.623766651009984e-20 -1.1907889342304257e-19 -4.5950425484544e-19 ] } }