{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.08424 5.676573 5.423918 5.24035 5.096088 4.977233 4.876161 4.788237 4.71043 4.640651 4.577398 4.519552 4.466262 4.416863 4.370825 4.327719 4.287194 4.248958 4.212767 4.178413 4.145719 4.114531 4.084717 4.05616 4.036719 4.016259 3.994666 3.971807 3.947525 3.921631 3.893895 3.864035 3.831699 3.796439 3.757672 3.714623 3.666228 3.610967 3.546566 3.469391 3.373086 3.24493 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.084240000000001e-10 5.676573e-10 5.423918e-10 5.24035e-10 5.096088e-10 4.977233e-10 4.876161e-10 4.788236999999999e-10 4.71043e-10 4.640651e-10 4.577398e-10 4.5195520000000003e-10 4.4662620000000007e-10 4.416863e-10 4.370825e-10 4.3277190000000003e-10 4.2871940000000006e-10 4.248958e-10 4.2127670000000005e-10 4.1784130000000003e-10 4.145719e-10 4.1145310000000007e-10 4.0847170000000006e-10 4.0561600000000006e-10 4.036719e-10 4.0162589999999997e-10 3.994666e-10 3.9718070000000003e-10 3.9475250000000003e-10 3.921631e-10 3.8938950000000003e-10 3.864035e-10 3.831699e-10 3.796439e-10 3.757672e-10 3.7146230000000004e-10 3.666228e-10 3.610967e-10 3.546566e-10 3.469391e-10 3.373086e-10 3.24493e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.61568 1.00439 1.33897 1.63661 1.90022 2.13666 2.34972 2.54206 2.71575 2.87244 3.01349 3.14009 3.25336 3.35467 3.44522 3.52469 3.59273 3.65001 3.69731 3.73518 3.76405 3.78429 3.79622 3.80014 3.79822 3.7919 3.78012 3.76153 3.73439 3.69641 3.64459 3.57485 3.48163 3.35716 3.18977 2.96155 2.64523 2.19638 1.53712 0.519226 -1.17281 -4.35852 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.86428101894144e-20 1.609210176165312e-19 2.1452664299525762e-19 2.622138279367488e-19 3.044488058376576e-19 3.423306698598528e-19 3.764666449426176e-19 4.0728291006708487e-19 4.3511111579376e-19 4.602156212650752e-19 4.8281432250145925e-19 5.030978785207872e-19 5.212457331045888e-19 5.374773844499137e-19 5.519850937512577e-19 5.647175913567553e-19 5.756188010846784e-19 5.847960687686208e-19 5.923743641850048e-19 5.984418070479745e-19 6.030672909522241e-19 6.063100964327232e-19 6.082214931413376e-19 6.088495463766912e-19 6.085419284654977e-19 6.07529352841152e-19 6.056419887818497e-19 6.026635424437825e-19 5.983152350949312e-19 5.922301682891329e-19 5.839276890401472e-19 5.72754109286688e-19 5.578186188275905e-19 5.378763264284928e-19 5.110574919729217e-19 4.7449261713302405e-19 4.2381256626387844e-19 3.518988686392704e-19 2.462737727364096e-19 8.318917581115007e-20 -1.8790487626404479e-19 -6.983118845289217e-19 ] } }