{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 8.51652 7.945882 7.592223 7.335271 7.133338 6.966968 6.82549 6.702417 6.593506 6.495832 6.407291 6.326321 6.251728 6.182581 6.118137 6.057799 6.001074 5.947553 5.896894 5.848806 5.803042 5.759386 5.717652 5.67768 5.650468 5.621828 5.591602 5.559605 5.525616 5.48937 5.450546 5.408749 5.363486 5.314129 5.259863 5.199605 5.131862 5.05451 4.964363 4.856334 4.721529 4.54214 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.51652e-10 7.945882000000001e-10 7.592223e-10 7.335271e-10 7.133338e-10 6.966968e-10 6.825490000000001e-10 6.702417e-10 6.593506e-10 6.495832e-10 6.407291e-10 6.326321000000001e-10 6.251728e-10 6.182581e-10 6.118137e-10 6.057799e-10 6.001074e-10 5.947553000000001e-10 5.896894e-10 5.848806e-10 5.803041999999999e-10 5.759386e-10 5.717652e-10 5.67768e-10 5.650468e-10 5.621828e-10 5.591602e-10 5.559605000000001e-10 5.525616000000001e-10 5.48937e-10 5.450546e-10 5.408749e-10 5.363486e-10 5.314129e-10 5.259863e-10 5.199605e-10 5.131862e-10 5.05451e-10 4.964363e-10 4.856334000000001e-10 4.721529000000001e-10 4.54214e-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" [ 1.69513 2.20984 2.60195 2.92032 3.15558 3.33046 3.46843 3.58471 3.68911 3.78674 3.87945 3.96696 4.04828 4.12302 4.19127 4.25313 4.30862 4.3577 4.40026 4.43616 4.46512 4.48665 4.50014 4.50482 4.50236 4.49393 4.47784 4.45236 4.41599 4.3673 4.30619 4.23503 4.1561 4.06629 3.95479 3.80072 3.56598 3.1804 2.51347 1.33084 -0.716106 -5.0103 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7158976775924197e-19 3.5405540128785596e-19 4.1687834928362997e-19 4.67886846780288e-19 5.05579654271772e-19 5.335985192471639e-19 5.55703750266462e-19 5.743338601666139e-19 5.910605842255739e-19 6.0670263470331595e-19 6.215564142771299e-19 6.355770620012639e-19 6.48605962388952e-19 6.60580630551468e-19 6.71515486078518e-19 6.814265507364419e-19 6.90317028878508e-19 6.9818051179818e-19 7.04999375552484e-19 7.10751189668544e-19 7.153910932006079e-19 7.1884057949361e-19 7.210019157728759e-19 7.217517344375879e-19 7.21357598985624e-19 7.200069640831619e-19 7.174290618790559e-19 7.133467158156239e-19 7.07519599397766e-19 6.997186013668199e-19 6.89927699956446e-19 6.785266110289019e-19 6.6588063085674e-19 6.51491482506786e-19 6.33627213037686e-19 6.08942477637648e-19 5.71332983331132e-19 5.0955625667736e-19 4.0270229042599796e-19 2.13224075159256e-19 -1.147328300667204e-19 -8.027385589330199e-19 ] } }