{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.0358 7.497372 7.163675 6.921227 6.730692 6.573713 6.440221 6.324095 6.221332 6.129171 6.045628 5.969228 5.898846 5.833601 5.772795 5.715863 5.662339 5.61184 5.56404 5.518667 5.475486 5.434294 5.394916 5.3572 5.319071 5.279778 5.239249 5.197404 5.154153 5.109399 5.063035 5.014939 4.964977 4.912999 4.858835 4.802294 4.743156 4.681172 4.616054 4.547468 4.475023 4.398261 4.316632 4.229479 4.135998 4.035199 3.925837 3.806321 3.674572 3.527797 3.36212 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0358e-10 7.497372000000001e-10 7.163675e-10 6.921227e-10 6.730692000000001e-10 6.573713e-10 6.440221000000001e-10 6.324095e-10 6.221332000000001e-10 6.129171000000001e-10 6.045628e-10 5.969228e-10 5.898846000000001e-10 5.833601e-10 5.772795e-10 5.715862999999999e-10 5.662339e-10 5.611840000000001e-10 5.564040000000001e-10 5.518667e-10 5.475486e-10 5.434294000000001e-10 5.394916000000001e-10 5.3572e-10 5.319071e-10 5.279778000000001e-10 5.239249e-10 5.197404e-10 5.154153e-10 5.109399e-10 5.063035000000001e-10 5.014939e-10 4.964977000000001e-10 4.912999e-10 4.858835000000001e-10 4.802294e-10 4.743156e-10 4.681172000000001e-10 4.616054e-10 4.547468e-10 4.475023e-10 4.3982609999999997e-10 4.316632e-10 4.229479000000001e-10 4.135998e-10 4.0351990000000004e-10 3.925837e-10 3.806321e-10 3.6745720000000003e-10 3.527797e-10 3.36212e-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" [ 0.750554 1.04831 1.26357 1.43587 1.58119 1.70353 1.8082 1.89863 1.97725 2.04583 2.10575 2.15808 2.20704 2.24998 2.28751 2.3201 2.34817 2.37206 2.39209 2.40851 2.42157 2.43157 2.43678 2.43813 2.43665 2.43189 2.42329 2.41016 2.39167 2.36684 2.33449 2.29319 2.24118 2.17705 2.09784 2.00003 1.87953 1.7312 1.54846 1.32144 1.04186 0.694224 0.259134 -0.289289 -0.986385 -1.88377 -3.04488 -4.56776 -6.57607 -9.24865 -12.772 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.202520081355236e-19 1.67957778718854e-19 2.02446232942338e-19 2.30051736346158e-19 2.53334567191446e-19 2.7293559613180196e-19 2.8970557895987997e-19 3.04194062261142e-19 3.1679037495764996e-19 3.27778102313622e-19 3.3737834470454997e-19 3.45762535030272e-19 3.53606791830336e-19 3.6048653829673197e-19 3.66499507204134e-19 3.7172100085434e-19 3.7621831066597797e-19 3.8004591064460397e-19 3.83255070442506e-19 3.85885844475534e-19 3.8797828715953797e-19 3.8958046379353795e-19 3.90415197819852e-19 3.90631491665442e-19 3.9039436952361003e-19 3.8963173344582597e-19 3.88253861540586e-19 3.8615020362014396e-19 3.8318777902387796e-19 3.7920957444165594e-19 3.74026533030666e-19 3.6740954353224597e-19 3.59076622858812e-19 3.4880186410497e-19 3.36111022987056e-19 3.20440133329902e-19 3.0113390489020197e-19 2.7736881887807998e-19 2.48090643068364e-19 2.1171802912329598e-19 1.6692437478992399e-19 1.1122694715620158e-19 4.151784398749559e-20 -4.63492076273226e-20 -1.5803629991280897e-19 -3.0181322778301796e-19 -4.878435589333919e-19 -7.318358341719839e-19 -1.0536025697548378e-18 -1.4817970926044098e-18 -2.0462999969448e-18 ] } }