{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 4.9875 4.653319 4.446207 4.295729 4.177472 4.080041 3.997188 3.925113 3.861332 3.804132 3.75228 3.704861 3.661178 3.620683 3.582944 3.547608 3.514388 3.483045 3.453378 3.425216 3.398415 3.372849 3.348409 3.325 3.309064 3.292291 3.274591 3.255852 3.235947 3.214721 3.191985 3.167507 3.141 3.112095 3.080316 3.045027 3.005356 2.960056 2.907264 2.844 2.765055 2.66 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.9875e-10 4.6533189999999997e-10 4.4462070000000003e-10 4.295729e-10 4.177472e-10 4.0800409999999995e-10 3.997188e-10 3.925113e-10 3.8613320000000003e-10 3.804132e-10 3.75228e-10 3.7048610000000003e-10 3.661178e-10 3.620683e-10 3.582944e-10 3.547608e-10 3.514388e-10 3.483045e-10 3.453378e-10 3.425216e-10 3.398415e-10 3.372849e-10 3.3484090000000003e-10 3.3250000000000004e-10 3.309064e-10 3.2922910000000003e-10 3.274591e-10 3.2558520000000003e-10 3.235947e-10 3.214721e-10 3.191985e-10 3.1675070000000003e-10 3.1410000000000003e-10 3.112095e-10 3.080316e-10 3.045027e-10 3.005356e-10 2.960056e-10 2.9072640000000003e-10 2.844e-10 2.7650549999999997e-10 2.66e-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" [ 3.41111 4.2652 4.84648 5.28429 5.63116 5.91437 6.15013 6.34897 6.51814 6.66288 6.78712 6.89389 6.98555 7.06403 7.13089 7.18741 7.2347 7.27365 7.30507 7.32963 7.34792 7.36044 7.36767 7.37 7.36889 7.36527 7.35862 7.34828 7.33346 7.31309 7.28582 7.24986 7.2028 7.14133 7.06082 6.95452 6.81228 6.6181 6.34522 5.94529 5.32078 4.23953 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.46520073800374e-19 6.8336037793368e-19 7.764917013148319e-19 8.46636596527986e-19 9.02211297431544e-19 9.47586541883058e-19 9.85359458206242e-19 1.0172171383966978e-18 1.044321160514076e-18 1.067511065114592e-18 1.087416507615408e-18 1.104522947536626e-18 1.11920849856387e-18 1.1317823807875019e-18 1.142494533762426e-18 1.151550036097794e-18 1.15912672939998e-18 1.1653672073894099e-18 1.1704012463734378e-18 1.1743361921865419e-18 1.177266573250128e-18 1.179272498395896e-18 1.180430872102278e-18 1.180804179258e-18 1.180626337651626e-18 1.180046349710118e-18 1.178980902248508e-18 1.177324251608952e-18 1.1749498258373638e-18 1.1716861920339058e-18 1.167317056352988e-18 1.161555629177124e-18 1.15401578593752e-18 1.1441672061683219e-18 1.1312680820879879e-18 1.1142369444685678e-18 1.091447584026552e-18 1.06033651814754e-18 1.016616322158948e-18 9.525404720353859e-19 8.524829390654519e-19 6.79247590514202e-19 ] } }