{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.09546 5.687042 5.43392 5.250014 5.105486 4.986411 4.885153 4.797067 4.719117 4.649209 4.585839 4.527887 4.474499 4.425008 4.378885 4.335699 4.2951 4.256794 4.220536 4.186119 4.153364 4.122118 4.092249 4.06364 4.044163 4.023665 4.002032 3.979131 3.954804 3.928862 3.901075 3.87116 3.838764 3.803439 3.7646 3.721471 3.672987 3.617624 3.553104 3.475786 3.379303 3.25091 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.09546e-10 5.687042e-10 5.433919999999999e-10 5.250014000000001e-10 5.105486e-10 4.986411000000001e-10 4.885153e-10 4.797067000000001e-10 4.719117e-10 4.649209e-10 4.5858390000000004e-10 4.527887e-10 4.474499e-10 4.425008e-10 4.3788850000000006e-10 4.335699e-10 4.2951e-10 4.2567940000000004e-10 4.220536e-10 4.186119e-10 4.1533639999999997e-10 4.1221180000000007e-10 4.092249e-10 4.0636400000000007e-10 4.0441630000000005e-10 4.0236650000000005e-10 4.002032e-10 3.9791310000000003e-10 3.9548040000000004e-10 3.928862e-10 3.9010750000000004e-10 3.87116e-10 3.838764e-10 3.803439e-10 3.7646e-10 3.721471e-10 3.672987e-10 3.6176240000000004e-10 3.553104e-10 3.4757859999999997e-10 3.3793030000000003e-10 3.25091e-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" [ 0.17383 0.287411 0.386191 0.473846 0.552441 0.623322 0.687449 0.745543 0.798171 0.845789 0.888774 0.927446 0.962077 0.992903 1.02013 1.04394 1.0645 1.08195 1.09642 1.10804 1.11692 1.12315 1.12682 1.12803 1.12744 1.12549 1.12185 1.1161 1.1077 1.09594 1.07988 1.05823 1.02922 0.990344 0.937973 0.866643 0.767826 0.627501 0.421123 0.101892 -0.430764 -1.4359 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7850636199366404e-20 4.604831847607489e-20 6.187461913633728e-20 7.591849830595968e-20 8.851080545713728e-20 9.986719356302978e-20 1.1014147157923391e-19 1.1944915644010943e-19 1.2788109156005568e-19 1.3551033619298113e-19 1.4239729239748993e-19 1.4859322982544768e-19 1.5414172768094017e-19 1.5908059733221824e-19 1.634428436176704e-19 1.6725762615179523e-19 1.7055170128416002e-19 1.7334749948745601e-19 1.756658490577536e-19 1.775275782911232e-19 1.7895031113039359e-19 1.7994846716515204e-19 1.805364659849856e-19 1.8073032935610243e-19 1.806358009354752e-19 1.8032337649441922e-19 1.79740184204448e-19 1.7881893264748803e-19 1.77473104286016e-19 1.755889445799552e-19 1.730158489269504e-19 1.6954713654291841e-19 1.648992221659776e-19 1.5867060033495553e-19 1.5027984115416383e-19 1.3885151531799747e-19 1.2301928660423808e-19 1.0053674317286208e-19 6.747134250811585e-20 1.632489802465536e-20 -6.901600098822912e-20 -2.30056540980672e-19 ] } }