{ "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" [ 8.21391 7.663548 7.322455 7.074633 6.879875 6.719417 6.582966 6.464266 6.359225 6.265021 6.179627 6.101534 6.029591 5.9629 5.900747 5.842552 5.787843 5.736224 5.687365 5.640986 5.596847 5.554742 5.514492 5.47594 5.449695 5.422072 5.392921 5.362061 5.329279 5.294321 5.256877 5.216565 5.17291 5.125307 5.07297 5.014852 4.949517 4.874913 4.78797 4.68378 4.553765 4.38075 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.213910000000001e-10 7.663548e-10 7.322455e-10 7.074633000000001e-10 6.879875e-10 6.719417e-10 6.582966e-10 6.464266000000001e-10 6.359225000000001e-10 6.265021e-10 6.179627e-10 6.101534000000001e-10 6.029591e-10 5.9629e-10 5.900747000000001e-10 5.842552e-10 5.787843e-10 5.736224e-10 5.687365e-10 5.640986e-10 5.596847e-10 5.554742e-10 5.514491999999999e-10 5.47594e-10 5.449695000000001e-10 5.422072000000001e-10 5.392921000000001e-10 5.362060999999999e-10 5.329279e-10 5.294321e-10 5.256877000000001e-10 5.216565000000001e-10 5.17291e-10 5.125307e-10 5.07297e-10 5.014852e-10 4.949517000000001e-10 4.874913e-10 4.78797e-10 4.68378e-10 4.5537650000000006e-10 4.38075e-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" [ 0.500019 0.690986 0.841405 0.962933 1.06452 1.15109 1.22572 1.29133 1.34991 1.40132 1.44642 1.4859 1.52031 1.55053 1.57868 1.603 1.62375 1.64119 1.65551 1.66691 1.67554 1.68155 1.68507 1.68622 1.68566 1.68382 1.68041 1.67505 1.66725 1.65825 1.647 1.63127 1.60963 1.58011 1.53982 1.48445 1.41133 1.30691 1.15244 0.912613 0.514249 -0.229771 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.011187517557953e-20 1.1070816145001088e-19 1.348079419624224e-19 1.5427887399968066e-19 1.705549056374016e-19 1.844249486436672e-19 1.963819927646976e-19 2.0689387357376643e-19 2.162794242184128e-19 2.245162142259456e-19 2.317420307857536e-19 2.38067424084672e-19 2.4358051383684483e-19 2.484222915849024e-19 2.529324187724544e-19 2.5682891231424e-19 2.601534288024e-19 2.629476248290752e-19 2.652419417500608e-19 2.670684230977728e-19 2.684511015215232e-19 2.69414009670624e-19 2.699779758411456e-19 2.701622261525376e-19 2.700725042617728e-19 2.697777037635456e-19 2.692313615358528e-19 2.6837259486710403e-19 2.6712289710288e-19 2.6568093814416003e-19 2.6387848944576004e-19 2.6135826562124164e-19 2.578911554138304e-19 2.5316153002922878e-19 2.467063604240256e-19 2.3783510847465604e-19 2.261199930233664e-19 2.0939006474897283e-19 1.8464124248747519e-19 1.4621672124381505e-19 8.239177250697792e-20 -3.681337243378368e-20 ] } }