{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.02981 7.491784 7.158337 6.916069 6.725677 6.568815 6.435423 6.319383 6.216697 6.124605 6.041124 5.964781 5.894451 5.829255 5.768495 5.711605 5.658122 5.60766 5.559896 5.514557 5.471407 5.430246 5.390898 5.35321 5.315109 5.275846 5.235347 5.193532 5.150314 5.105593 5.059263 5.011203 4.961278 4.909339 4.855216 4.798716 4.739622 4.677684 4.612614 4.544079 4.471689 4.394983 4.313415 4.226326 4.132915 4.032191 3.92291 3.803484 3.671832 3.525166 3.359613 3.169579 2.946548 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.02981e-10 7.491784e-10 7.158337e-10 6.916069000000001e-10 6.725677000000001e-10 6.568815e-10 6.435423e-10 6.319383000000001e-10 6.216697e-10 6.124605e-10 6.041124e-10 5.964781e-10 5.894451000000001e-10 5.829255e-10 5.768495e-10 5.711605e-10 5.658122e-10 5.60766e-10 5.559896e-10 5.514557000000001e-10 5.471407000000001e-10 5.430246000000001e-10 5.390898e-10 5.35321e-10 5.315108999999999e-10 5.275846e-10 5.235347e-10 5.193532000000001e-10 5.150314e-10 5.105593e-10 5.059263e-10 5.011203e-10 4.961278e-10 4.909339e-10 4.855216000000001e-10 4.798716e-10 4.739622e-10 4.677684e-10 4.612614e-10 4.5440790000000004e-10 4.471689e-10 4.394983e-10 4.313415e-10 4.226326e-10 4.132915e-10 4.032191e-10 3.92291e-10 3.8034840000000004e-10 3.6718320000000006e-10 3.525166e-10 3.359613e-10 3.169579e-10 2.946548e-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" [ 0.803974 1.20899 1.58412 1.80894 1.98062 2.1164 2.22937 2.35813 2.46082 2.56454 2.64392 2.71155 2.76978 2.81981 2.86241 2.89854 2.92871 2.95364 2.97375 2.98945 3.00122 3.00924 3.01396 3.01566 3.01444 3.01008 3.00505 2.99247 2.97498 2.95184 2.92254 2.88664 2.84378 2.79397 2.7377 2.67464 2.6029 2.52189 2.42994 2.32434 2.20014 2.05097 1.86249 1.60863 1.28028 0.822886 0.194077 -0.730371 -2.1273 -4.28742 -7.71268 -13.5537 -23.8882 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2881083571435158e-19 1.9370155287396598e-19 2.53804004945208e-19 2.89824140030796e-19 3.1733030848330797e-19 3.3908466281976e-19 3.5718445225405795e-19 3.77814078593442e-19 3.94266830447988e-19 4.10884606495836e-19 4.2360268461652796e-19 4.344382051922699e-19 4.43767679732052e-19 4.51783369431954e-19 4.58608641892794e-19 4.64397306071436e-19 4.69231072976214e-19 4.73225299324776e-19 4.7644727653575e-19 4.7896269385113e-19 4.80848455749348e-19 4.82133401409816e-19 4.82889628781064e-19 4.831619988088439e-19 4.82966533259496e-19 4.82267984247072e-19 4.8146208940017e-19 4.79446551194598e-19 4.76644344261732e-19 4.729369075306559e-19 4.68242529993036e-19 4.624907158769759e-19 4.55623786823652e-19 4.476433450096979e-19 4.386278970901799e-19 4.28524571236176e-19 4.1703055606386e-19 4.04051323151826e-19 3.89319309002196e-19 3.7240032374715593e-19 3.52501289952876e-19 3.2860162110349797e-19 2.9840379590586597e-19 2.57730939875142e-19 2.05123470097752e-19 1.3184087216457239e-19 3.1094563459681795e-20 -1.170183350351214e-19 -3.4083103535081996e-19 -6.869204144144279e-19 -1.2357075681519118e-18 -2.1715421444245797e-18 -3.82731158683188e-18 ] } }