{ "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" [ 2.7850636428822e-20 4.60483188554574e-20 6.187461964610939e-20 7.59184989314364e-20 8.851080618635938e-20 9.98671943858148e-20 1.101414724866666e-19 1.194491574242262e-19 1.2788109261364138e-19 1.355103373094226e-19 1.4239729357067157e-19 1.4859323104967638e-19 1.5414172895088178e-19 1.5908059864285018e-19 1.6344284496424198e-19 1.67257627529796e-19 1.705517026893e-19 1.7334750091563e-19 1.75665850505028e-19 1.7752757975373598e-19 1.7895031260472796e-19 1.7994846864771001e-19 1.8053646747238797e-19 1.80730330845102e-19 1.80635802423696e-19 1.80323377980066e-19 1.7974018568528998e-19 1.7881893412074e-19 1.7747310574817997e-19 1.7558894602659596e-19 1.7301585035239198e-19 1.69547137939782e-19 1.64899223524548e-19 1.5867060164220958e-19 1.502798423922882e-19 1.388515164619662e-19 1.230192876177684e-19 1.0053674400116338e-19 6.74713430639982e-20 1.6324898159152798e-20 -6.90160015568376e-20 -2.3005654287605996e-19 ] } }