{ "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" [ "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" ] } "a" { "source-value" [ 9.80672 9.149633 8.742396 8.446518 8.213993 8.022418 7.859508 7.71779 7.592379 7.479908 7.377954 7.284717 7.198823 7.1192 7.044994 6.975515 6.910196 6.848567 6.790234 6.734861 6.682163 6.631894 6.583838 6.53781 6.491278 6.443326 6.393866 6.342798 6.290016 6.2354 6.178817 6.120122 6.05915 5.995718 5.929618 5.860616 5.788445 5.712801 5.633333 5.549632 5.461222 5.367543 5.267926 5.161566 5.047484 4.924471 4.791008 4.645154 4.484371 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.806720000000001e-10 9.149633e-10 8.742395999999999e-10 8.446517999999999e-10 8.213993000000001e-10 8.022418000000001e-10 7.859508e-10 7.71779e-10 7.592379e-10 7.479908000000001e-10 7.377954000000001e-10 7.284717e-10 7.198823e-10 7.119200000000001e-10 7.044994e-10 6.975515e-10 6.910196e-10 6.848567e-10 6.790234e-10 6.734861000000001e-10 6.682163000000001e-10 6.631894e-10 6.583838e-10 6.537810000000001e-10 6.491278e-10 6.443326e-10 6.393866000000001e-10 6.342798e-10 6.290016e-10 6.2354e-10 6.178817e-10 6.120122e-10 6.05915e-10 5.995718e-10 5.929617999999999e-10 5.860616e-10 5.788445e-10 5.712801e-10 5.633333000000001e-10 5.549632e-10 5.461222000000001e-10 5.367543000000001e-10 5.267926e-10 5.161566e-10 5.047484e-10 4.924471e-10 4.791008e-10 4.645154e-10 4.4843710000000006e-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" [ 1.69188 2.53603 3.27794 3.95791 4.5935 5.18889 5.75056 6.27852 6.77447 7.23937 7.67426 8.08001 8.45549 8.80056 9.11625 9.40203 9.65628 9.87847 10.068 10.2244 10.3468 10.4346 10.4887 10.5069 10.4863 10.4174 10.2874 10.0812 9.77731 9.3493 8.76295 7.97373 6.92302 5.53371 3.7009 1.28299 -1.91259 -6.16025 -11.8458 -19.5221 -30.0106 -44.5453 -65.0462 -94.5669 -138.148 -204.455 -309.104 -481.932 -784.008 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7106906035319197e-19 4.063168009123019e-19 5.251838875653959e-19 6.3412709214749395e-19 7.359598368278999e-19 8.313518314396259e-19 9.21341286441504e-19 1.005929804010168e-18 1.085389754173398e-18 1.1598749458880579e-18 1.229552005524084e-18 1.2945603224486338e-18 1.3547188507020657e-18 1.410005159811504e-18 1.46058427397025e-18 1.5063712778167018e-18 1.547106618736152e-18 1.582705381366998e-18 1.6130714351111998e-18 1.6381294776669597e-18 1.65774011966712e-18 1.67180723051364e-18 1.6804750061035799e-18 1.68339096757746e-18 1.6800904837114198e-18 1.66905148670316e-18 1.6482231904611598e-18 1.6151863082680801e-18 1.5664977625374538e-18 1.4979230004256198e-18 1.4039793734910299e-18 1.2775323891824818e-18 1.109190088071468e-18 8.865980861332139e-19 5.929495504770599e-19 2.05557659965566e-19 -3.06430700842206e-19 -9.869808609598499e-19 -1.89790639710372e-18 -3.1277852466611396e-18 -4.80822820923204e-18 -7.13694388145202e-18 -1.0421550177049079e-17 -1.515128775298146e-17 -2.2133749763383197e-17 -3.2757302370447e-17 -4.9523920627593594e-17 -7.72140189576888e-17 -1.256119298469072e-16 ] } }