{ "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" [ 8.27233 7.718054 7.374536 7.124952 6.928809 6.767209 6.629788 6.510244 6.404456 6.309583 6.223581 6.144932 6.072478 6.005313 5.942718 5.88411 5.829011 5.777025 5.727818 5.68111 5.636657 5.594253 5.553716 5.51489 5.475638 5.435189 5.393467 5.35039 5.305866 5.259796 5.212066 5.162555 5.111123 5.057615 5.001857 4.943651 4.882773 4.818964 4.751929 4.681325 4.606748 4.527726 4.443695 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.272330000000001e-10 7.718054e-10 7.374536e-10 7.124952000000001e-10 6.928809000000001e-10 6.767209000000001e-10 6.629787999999999e-10 6.510244e-10 6.404456e-10 6.309583e-10 6.223581e-10 6.144932e-10 6.072478000000001e-10 6.005313e-10 5.942718e-10 5.884109999999999e-10 5.829011000000001e-10 5.777025000000001e-10 5.727818e-10 5.68111e-10 5.636657e-10 5.594253000000001e-10 5.553716e-10 5.51489e-10 5.475638e-10 5.435189000000001e-10 5.393467000000001e-10 5.35039e-10 5.305866e-10 5.259796e-10 5.212066000000001e-10 5.162555e-10 5.111123e-10 5.057615000000001e-10 5.001857000000001e-10 4.943651e-10 4.882773000000001e-10 4.818964000000001e-10 4.751929e-10 4.681325e-10 4.606748e-10 4.5277260000000003e-10 4.4436950000000003e-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" [ 1.03854 1.55671 2.01211 2.4295 2.81965 3.18512 3.52989 3.85397 4.15839 4.44376 4.71071 4.95977 5.19025 5.40206 5.59584 5.77126 5.92732 6.06371 6.18007 6.27602 6.35116 6.40506 6.43826 6.44947 6.43682 6.39451 6.31472 6.18812 6.00157 5.73884 5.37892 4.89447 4.24949 3.39667 2.27161 0.787398 -1.17414 -3.78154 -7.27159 -11.9835 -18.4217 -27.3437 -39.9279 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6639245214743599e-19 2.4941243879141397e-19 3.2237556270377394e-19 3.892488132303e-19 4.5175773460581e-19 5.10312484048608e-19 5.655507278590259e-19 6.174740682136979e-19 6.662475293059259e-19 7.11968843910384e-19 7.547389491550139e-19 7.946427604014179e-19 8.315697274618499e-19 8.655054307466039e-19 8.96552409560256e-19 9.246577920738839e-19 9.49661360624088e-19 9.71513447735214e-19 9.90156375048438e-19 1.005529259851668e-18 1.017568015079544e-18 1.0262037471368038e-18 1.0315229735616838e-18 1.0333190135683978e-18 1.0312922601263879e-18 1.024513450787934e-18 1.011729683425248e-18 9.914461272388079e-19 9.615575221315379e-19 9.194635354264559e-19 8.61797994015528e-19 7.84180546981398e-19 6.808433584416659e-19 5.442065307408779e-19 3.6395204635607395e-19 1.261550677258332e-19 -1.8811796730447597e-19 -6.05869502853636e-19 -1.1650371590028058e-18 -1.9199683693539e-18 -2.95148172985578e-18 -4.38094372271058e-18 -6.39715484246886e-18 ] } }