{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.07548 7.534392 7.199048 6.955402 6.763926 6.606172 6.472021 6.355321 6.25205 6.159434 6.075478 5.998701 5.927971 5.862404 5.801298 5.744084 5.690297 5.639547 5.591512 5.545915 5.50252 5.461124 5.421552 5.38365 5.357847 5.33069 5.30203 5.27169 5.239461 5.205092 5.168279 5.128647 5.085728 5.038927 4.987472 4.930334 4.8661 4.792754 4.707276 4.604842 4.477019 4.30692 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.075480000000001e-10 7.534392000000001e-10 7.199048e-10 6.955402e-10 6.763926e-10 6.606172e-10 6.472021e-10 6.355321e-10 6.25205e-10 6.159434e-10 6.075478000000001e-10 5.998700999999999e-10 5.927971000000001e-10 5.862404e-10 5.801298e-10 5.744084e-10 5.690297000000001e-10 5.639547000000001e-10 5.591512e-10 5.545915e-10 5.50252e-10 5.461124e-10 5.421552e-10 5.38365e-10 5.357846999999999e-10 5.33069e-10 5.30203e-10 5.27169e-10 5.239461e-10 5.205091999999999e-10 5.168279e-10 5.128647e-10 5.085728e-10 5.038927e-10 4.987472000000001e-10 4.930334000000001e-10 4.8661e-10 4.792754000000001e-10 4.707276e-10 4.604842e-10 4.4770190000000005e-10 4.30692e-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" [ 0.891329 1.28253 1.57118 1.80077 1.9894 2.15356 2.29453 2.41668 2.52312 2.61613 2.69747 2.76855 2.83047 2.88415 2.93036 2.97124 3.00629 3.03557 3.05952 3.07848 3.09278 3.10271 3.10852 3.11047 3.10863 3.10426 3.09723 3.08692 3.07255 3.05311 3.02727 2.99326 2.94865 2.89007 2.81269 2.70937 2.56912 2.37436 2.09591 1.67667 0.997413 -0.232736 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4280664852410434e-19 2.054839581474624e-19 2.5173078630685443e-19 2.885151593438016e-19 3.1873701694195205e-19 3.450383483490048e-19 3.676242321724224e-19 3.871948195954944e-19 4.0424838754728963e-19 4.1915023229735045e-19 4.3218233693093765e-19 4.43570608351584e-19 4.534912859875776e-19 4.62091770088032e-19 4.694954282527488e-19 4.760451262785792e-19 4.816607553344832e-19 4.863519284801856e-19 4.901891414870016e-19 4.932268683600384e-19 4.955179809277824e-19 4.971089423122368e-19 4.980398069289217e-19 4.983522313699776e-19 4.980574308717504e-19 4.973572796884609e-19 4.962309495240385e-19 4.945791054279936e-19 4.922767776239041e-19 4.891621462730689e-19 4.850221218849217e-19 4.795731191975808e-19 4.724258092921921e-19 4.630402586475457e-19 4.506426159557953e-19 4.340889271096896e-19 4.116184000029696e-19 3.804144081362688e-19 3.358018001300928e-19 2.6863214747967365e-19 1.5980317898819906e-19 -3.728841780185088e-20 ] } }