{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 7.67148 7.157462 6.838895 6.607439 6.425542 6.27568 6.14824 6.037379 5.939275 5.851292 5.771537 5.698601 5.631409 5.569122 5.511074 5.456722 5.405625 5.357415 5.311783 5.268467 5.227243 5.187918 5.150326 5.11432 5.089808 5.06401 5.036784 5.007962 4.977345 4.944696 4.909724 4.872075 4.831303 4.786844 4.737964 4.683684 4.622664 4.552987 4.471786 4.374477 4.253048 4.09146 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.67148e-10 7.157462e-10 6.838895e-10 6.607439e-10 6.425542e-10 6.27568e-10 6.148240000000001e-10 6.037379e-10 5.939275000000001e-10 5.851292e-10 5.771537000000001e-10 5.698601000000001e-10 5.631409e-10 5.569122000000001e-10 5.511074e-10 5.456722e-10 5.405625e-10 5.357415e-10 5.311783e-10 5.268467000000001e-10 5.227243e-10 5.187918e-10 5.150326e-10 5.114320000000001e-10 5.089808e-10 5.064009999999999e-10 5.036784e-10 5.007962e-10 4.977345e-10 4.944696e-10 4.909724e-10 4.872074999999999e-10 4.831303000000001e-10 4.786844e-10 4.737964e-10 4.683684e-10 4.6226640000000004e-10 4.552987e-10 4.471786e-10 4.3744769999999996e-10 4.253048e-10 4.09146e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.21199 1.98681 2.4237 2.74491 2.99994 3.20995 3.38671 3.53763 3.66771 3.78038 3.87713 3.96025 4.03183 4.09343 4.14624 4.19119 4.22906 4.26049 4.28602 4.30613 4.3212 4.3316 4.33764 4.33959 4.33865 4.33558 4.3299 4.32103 4.30824 4.29057 4.26677 4.23517 4.19354 4.13874 4.06637 3.96993 3.83957 3.65956 3.40329 3.02192 2.41525 1.33978 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9418220586416597e-19 3.1832205581975395e-19 3.8831955078258e-19 4.397830664432939e-19 4.80643377140196e-19 5.142906886308299e-19 5.426107628134139e-19 5.667908125737419e-19 5.87631926228814e-19 6.056836503640919e-19 6.21184709298042e-19 6.3450200147985e-19 6.45970381826022e-19 6.558397898914619e-19 6.643008846956159e-19 6.715026686654459e-19 6.775701115784039e-19 6.82605752739066e-19 6.866961096856679e-19 6.899180868966419e-19 6.9233256708408e-19 6.939988307834399e-19 6.9496654547037605e-19 6.95278969914006e-19 6.9512836531041e-19 6.946364970837719e-19 6.9372646075566e-19 6.92305330081302e-19 6.902561461664159e-19 6.874251000541379e-19 6.83611919665218e-19 6.785490415017779e-19 6.718791801744359e-19 6.63099252220116e-19 6.515042999198579e-19 6.36052908461562e-19 6.15166933860738e-19 5.86326152272104e-19 5.45267171672586e-19 4.84164961381728e-19 3.8696571152684993e-19 2.14656421070052e-19 ] } }