{ "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" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 9.5628 8.922057 8.52495 8.236431 8.00969 7.822881 7.664022 7.525829 7.403538 7.293864 7.194446 7.103529 7.019772 6.942129 6.869769 6.802018 6.738323 6.678228 6.621345 6.56735 6.515963 6.466943 6.420083 6.3752 6.344645 6.312486 6.278548 6.24262 6.204455 6.163756 6.120163 6.073231 6.022407 5.966987 5.906055 5.838394 5.762329 5.675474 5.574253 5.452953 5.301587 5.10016 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.5628e-10 8.922057e-10 8.524950000000001e-10 8.236431e-10 8.009690000000001e-10 7.822881e-10 7.664022e-10 7.525829e-10 7.403538e-10 7.293864e-10 7.194446000000001e-10 7.103529e-10 7.019772e-10 6.942129e-10 6.869769e-10 6.802018e-10 6.738323e-10 6.678228e-10 6.621345000000001e-10 6.56735e-10 6.515963000000001e-10 6.466943e-10 6.420083e-10 6.375200000000001e-10 6.344645e-10 6.312486e-10 6.278548e-10 6.24262e-10 6.204455000000001e-10 6.163756e-10 6.120163e-10 6.073231e-10 6.022407000000001e-10 5.966987e-10 5.906055e-10 5.838394e-10 5.762329000000001e-10 5.675474000000001e-10 5.574253e-10 5.452953e-10 5.301587e-10 5.10016e-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" [ 1.77184 2.37075 2.77972 3.0868 3.32868 3.52467 3.68633 3.82126 3.93468 4.03041 4.11137 4.17995 4.23801 4.28704 4.32825 4.36265 4.39105 4.41416 4.43258 4.44679 4.45726 4.46434 4.46839 4.46968 4.46907 4.4671 4.46352 4.45802 4.45019 4.43956 4.4255 4.40721 4.38507 4.3771 4.3424 4.29413 4.23095 4.14707 4.0333 3.8741 3.64083 3.2736 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.838800623798272e-19 3.7983602237616004e-19 4.453602396370177e-19 4.945598793085441e-19 5.333133274124544e-19 5.647143870035136e-19 5.906151742553664e-19 6.122333433998208e-19 6.304052306329344e-19 6.457428674238528e-19 6.587140893458497e-19 6.69701816611296e-19 6.790040540716609e-19 6.868595260434432e-19 6.9346209589776e-19 6.989735834733121e-19 7.035237650763841e-19 7.072263952470528e-19 7.101776045825664e-19 7.124542975607232e-19 7.141317764827008e-19 7.152661175302272e-19 7.159149990616513e-19 7.161216798457345e-19 7.160239470718657e-19 7.157083182775681e-19 7.151347390473217e-19 7.142535419058817e-19 7.129990376117953e-19 7.112959238638849e-19 7.090432635350401e-19 7.061128824955969e-19 7.025656634571456e-19 7.012887286903681e-19 6.95729175816192e-19 6.879954692675905e-19 6.778729173773761e-19 6.6443385988210565e-19 6.46205896467264e-19 6.206992446641281e-19 5.833252706307264e-19 5.244885385850881e-19 ] } }