{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.85531 4.529986 4.328363 4.181873 4.066749 3.971901 3.891244 3.821079 3.758988 3.703303 3.652826 3.606664 3.564138 3.524717 3.487977 3.453578 3.421239 3.390726 3.361845 3.33443 3.308339 3.283451 3.259659 3.23687 3.221356 3.205029 3.187797 3.169556 3.150178 3.129515 3.107381 3.083553 3.057748 3.02961 2.998673 2.96432 2.9257 2.881601 2.830209 2.768622 2.69177 2.5895 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.855310000000001e-10 4.529986e-10 4.3283630000000004e-10 4.1818730000000005e-10 4.0667489999999996e-10 3.971901e-10 3.891244e-10 3.8210790000000004e-10 3.758988e-10 3.703303e-10 3.652826e-10 3.606664e-10 3.564138e-10 3.524717e-10 3.487977e-10 3.453578e-10 3.421239e-10 3.390726e-10 3.361845e-10 3.33443e-10 3.3083390000000004e-10 3.283451e-10 3.259659e-10 3.23687e-10 3.2213560000000003e-10 3.205029e-10 3.187797e-10 3.169556e-10 3.150178e-10 3.129515e-10 3.107381e-10 3.083553e-10 3.057748e-10 3.02961e-10 2.9986730000000004e-10 2.96432e-10 2.9257e-10 2.881601e-10 2.830209e-10 2.7686220000000004e-10 2.69177e-10 2.5895e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.65401 1.07374 1.42944 1.73653 2.00751 2.2488 2.46581 2.66214 2.83888 2.99795 3.14089 3.26905 3.38161 3.48089 3.5681 3.64396 3.70908 3.76402 3.80927 3.8458 3.87412 3.89395 3.90563 3.90945 3.90759 3.90143 3.89016 3.87229 3.84615 3.80954 3.7594 3.69167 3.60116 3.48024 3.31782 3.09737 2.7931 2.3629 1.73339 0.765233 -0.837883 -3.83016 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.047839531769408e-19 1.720321124817792e-19 2.290215348836352e-19 2.782227767317824e-19 3.216385588022208e-19 3.6029747848550404e-19 3.950663133334848e-19 4.2652184692965124e-19 4.548387165256704e-19 4.80324540032736e-19 5.032260526504513e-19 5.237595482226241e-19 5.417936482663488e-19 5.577000577576512e-19 5.71672640067648e-19 5.838267519130368e-19 5.942601260676865e-19 6.030624844223616e-19 6.103123336314817e-19 6.16165084827264e-19 6.207024490173697e-19 6.23879565256416e-19 6.257509075495105e-19 6.26362939018656e-19 6.260649341671872e-19 6.250779933687745e-19 6.232723403171328e-19 6.204092506957633e-19 6.16221161008992e-19 6.103555924002433e-19 6.02322278823552e-19 5.914707365708736e-19 5.769694359760129e-19 5.575959162772992e-19 5.315733636022656e-19 4.962533799967297e-19 4.47503951955648e-19 3.78578313728832e-19 2.777196932728512e-19 1.2260384220646465e-19 -1.3424365535657665e-19 -6.136592805923328e-19 ] } }