{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 5.19159 4.843734 4.628147 4.471512 4.348415 4.246998 4.160754 4.08573 4.019339 3.959798 3.905824 3.856465 3.810994 3.768843 3.729559 3.692777 3.658198 3.625572 3.594691 3.565377 3.537479 3.510867 3.485427 3.46106 3.444472 3.427013 3.408588 3.389083 3.368364 3.346269 3.322602 3.297123 3.269531 3.239444 3.206365 3.169632 3.128337 3.081184 3.026231 2.960379 2.878203 2.76885 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.19159e-10 4.843734000000001e-10 4.6281470000000003e-10 4.4715119999999997e-10 4.3484150000000003e-10 4.246998e-10 4.160754e-10 4.08573e-10 4.019339000000001e-10 3.9597980000000005e-10 3.905824e-10 3.8564650000000003e-10 3.810994e-10 3.768843e-10 3.729559e-10 3.6927770000000003e-10 3.658198e-10 3.625572e-10 3.594691e-10 3.565377e-10 3.537479e-10 3.510867e-10 3.485427e-10 3.4610599999999997e-10 3.444472e-10 3.427013e-10 3.4085880000000003e-10 3.389083e-10 3.3683640000000004e-10 3.346269e-10 3.322602e-10 3.297123e-10 3.2695310000000005e-10 3.2394440000000003e-10 3.206365e-10 3.169632e-10 3.1283370000000004e-10 3.081184e-10 3.0262310000000004e-10 2.960379e-10 2.8782030000000004e-10 2.76885e-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" [ 1.27033e-05 0.079943 0.345943 0.648367 0.924687 1.16352 1.36688 1.53953 1.68627 1.81118 1.91765 2.0084 2.08567 2.15128 2.20672 2.25324 2.29186 2.32346 2.34878 2.36845 2.38301 2.39293 2.39863 2.40046 2.39959 2.39677 2.3916 2.3836 2.37216 2.35648 2.33557 2.30808 2.27223 2.22555 2.16461 2.08445 1.97843 1.83662 1.6287 1.2436 0.333251 -2.15067 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0352930267008642e-24 1.2808280559661441e-20 5.542617867294145e-20 1.0387984490982337e-19 1.4815118929576898e-19 1.8641645418332163e-19 2.1899831794391043e-19 2.4665989730202243e-19 2.7017023703564162e-19 2.901830252060544e-19 3.07241399687712e-19 3.21781152521472e-19 3.341611712703936e-19 3.446730520794624e-19 3.5355551926517757e-19 3.610088449051392e-19 3.671964510146688e-19 3.722593291363968e-19 3.763160403402624e-19 3.7946752175337603e-19 3.8180029091326083e-19 3.8338965012109437e-19 3.8430289079495037e-19 3.845960891165568e-19 3.844566997505472e-19 3.8400488594348164e-19 3.83176560630528e-19 3.81894819333888e-19 3.8006192927969285e-19 3.775497163382784e-19 3.7419956502418563e-19 3.697951814936064e-19 3.640513783080384e-19 3.5657241784214406e-19 3.4680875351498886e-19 3.33965705722656e-19 3.169794291889344e-19 2.942589625293696e-19 2.6094650622969603e-19 1.9924668456268802e-19 5.339269610582209e-20 -3.445753193055936e-19 ] } }