{ "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" [ 8.315713296384839e-20 1.091192837941746e-19 1.2914424867188698e-19 1.4621880527808839e-19 1.62569658698712e-19 1.81283081783832e-19 2.04303155661144e-19 2.31070720685382e-19 2.59541399471562e-19 2.87637168925386e-19 3.1393529619586197e-19 3.37705188737886e-19 3.58692100466652e-19 3.7691045097186595e-19 3.92522060093562e-19 4.0574161950069596e-19 4.1679824045192993e-19 4.2597390603484802e-19 4.3331828372510393e-19 4.3904446301502e-19 4.433126615679959e-19 4.462414404549479e-19 4.47934941157086e-19 4.484828855659139e-19 4.482201285979379e-19 4.47361361922114e-19 4.457784114077219e-19 4.4330785503809405e-19 4.39743012027444e-19 4.34809910171358e-19 4.2815767278698994e-19 4.1931365776731e-19 4.0763218792881594e-19 3.92214442179834e-19 3.71765861800092e-19 3.4436543700542403e-19 3.07050743199564e-19 2.55012046127244e-19 1.79942059941174e-19 6.623766705581819e-20 -1.1907889440410878e-19 -4.595042586312e-19 ] } }