{ "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 11.8637 11.068792 10.576139 10.218201 9.936905 9.705149 9.508068 9.336625 9.184911 9.048849 8.92551 8.812718 8.708808 8.612485 8.522714 8.438662 8.359642 8.285087 8.214519 8.147532 8.083781 8.022967 7.964832 7.90915 7.871243 7.831347 7.789242 7.744669 7.697322 7.64683 7.592747 7.534523 7.471471 7.402716 7.327123 7.243181 7.148815 7.041061 6.915485 6.764999 6.577213 6.32732 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1863700000000001e-09 1.1068792e-09 1.0576139e-09 1.0218201000000001e-09 9.936905e-10 9.705149000000001e-10 9.508068e-10 9.336625e-10 9.184911e-10 9.048849000000001e-10 8.92551e-10 8.812718000000001e-10 8.708807999999999e-10 8.612484999999999e-10 8.522714000000001e-10 8.438662000000001e-10 8.359642e-10 8.285087000000001e-10 8.214519e-10 8.147532e-10 8.083781000000001e-10 8.022967e-10 7.964832000000001e-10 7.909150000000001e-10 7.871243e-10 7.831347e-10 7.789242e-10 7.744669000000001e-10 7.697322e-10 7.64683e-10 7.592747000000001e-10 7.534523e-10 7.471471000000001e-10 7.402716e-10 7.327123000000001e-10 7.243181000000001e-10 7.148815e-10 7.041061000000001e-10 6.915485000000001e-10 6.764999000000001e-10 6.577213000000001e-10 6.327320000000001e-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" [ 1.11516 1.37759 1.55761 1.69378 1.80182 1.88995 1.96311 2.0245 2.07638 2.12037 2.15771 2.18935 2.21604 2.23841 2.25696 2.30794 2.34371 2.35717 2.36803 2.37653 2.38288 2.38723 2.38975 2.39056 2.39017 2.38891 2.38658 2.38297 2.37778 2.37064 2.36107 2.34843 2.33188 2.31023 2.28183 2.24428 2.27197 2.21182 2.12428 1.99346 1.78507 1.4163 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.786683280451328e-19 2.207142491047872e-19 2.4955663263242883e-19 2.713734716778624e-19 2.886833878889856e-19 3.0280337044809604e-19 3.145248946058688e-19 3.2436065688096005e-19 3.326727491896704e-19 3.397207241445696e-19 3.457032516466368e-19 3.5077253847484805e-19 3.5504874787576324e-19 3.5863281697649283e-19 3.616048546080768e-19 3.697727510209152e-19 3.7550373679351684e-19 3.7766026652511364e-19 3.794002303353024e-19 3.807620804629824e-19 3.817794626171904e-19 3.8247640944723847e-19 3.8288015795568e-19 3.8300993426196477e-19 3.829474493737536e-19 3.8274557511953284e-19 3.823722679668864e-19 3.817938822067776e-19 3.809623525405824e-19 3.798183984333312e-19 3.782851154072256e-19 3.7625996415853445e-19 3.736083618511104e-19 3.701396494670784e-19 3.655894678640064e-19 3.595732946529024e-19 3.640097217158976e-19 3.543726293417856e-19 3.4034717520330247e-19 3.1938750064999683e-19 2.859997420491456e-19 2.26916274803904e-19 ] } }