{ "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 3.213832 3.190091 3.165603 3.14032 3.114187 3.087147 3.059133 3.030073 2.999886 2.968481 2.935754 2.901592 2.86586 2.828409 2.789064 2.747624 2.703852 2.657472 2.608151 2.555492 2.499011 2.438107 2.37203 2.299818 2.220214 ] "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 3.213832e-10 3.190091e-10 3.165603e-10 3.14032e-10 3.114187e-10 3.087147e-10 3.059133e-10 3.030073e-10 2.9998860000000003e-10 2.9684810000000003e-10 2.935754e-10 2.901592e-10 2.86586e-10 2.828409e-10 2.789064e-10 2.7476240000000003e-10 2.703852e-10 2.6574719999999997e-10 2.6081509999999997e-10 2.555492e-10 2.4990109999999997e-10 2.438107e-10 2.37203e-10 2.2998180000000002e-10 2.220214e-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 3.9053 3.89196 3.86758 3.82985 3.77613 3.70283 3.6065 3.48243 3.32481 3.12647 2.87846 2.56959 2.18565 1.70858 1.11506 0.374247 -0.553112 -1.7203 -3.19959 -5.09047 -7.53276 -10.7285 -14.9756 -20.727 -28.6967 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0478395404023399e-19 1.7203211389911597e-19 2.2902153677049597e-19 2.78222779024002e-19 3.2163856145213396e-19 3.6029748145391997e-19 3.9506631658835393e-19 4.2652185044367596e-19 4.54838720272992e-19 4.803245439900299e-19 5.03226056796426e-19 5.2375955253777e-19 5.417936527300739e-19 5.57700062352426e-19 5.716726447775399e-19 5.8382675672306395e-19 5.94260130963672e-19 6.03062489390868e-19 6.10312338659718e-19 6.1616508990372e-19 6.20702454131208e-19 6.238795703964299e-19 6.257509127049419e-19 6.263629441791299e-19 6.256980408760199e-19 6.23560737246264e-19 6.196546306125719e-19 6.136096181724899e-19 6.05002725294642e-19 5.932587705674219e-19 5.778250030521e-19 5.57946797554062e-19 5.326932894489539e-19 5.009157180901979e-19 4.61180135390364e-19 4.1169370569600594e-19 3.5017973601020997e-19 2.7374469533197196e-19 1.7865230775080398e-19 5.99609798744598e-20 -8.86183122385008e-20 -2.7562244634702e-19 -5.12630833638006e-19 -8.155832090077979e-19 -1.2068812061529839e-18 -1.7188952017868999e-18 -2.39935564001304e-18 -3.3208315092917997e-18 -4.59771822129078e-18 ] } }