{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 8.47762 7.909589 7.557546 7.301768 7.100757 6.935147 6.794316 6.671805 6.563392 6.466164 6.378028 6.297428 6.223175 6.154344 6.090195 6.030132 5.973666 5.92039 5.869962 5.822095 5.776539 5.733082 5.69154 5.65175 5.611524 5.570071 5.527314 5.483167 5.437538 5.390324 5.34141 5.29067 5.237961 5.183125 5.125983 5.066333 5.003943 4.938551 4.869853 4.797495 4.721068 4.640084 4.553968 4.462022 4.363401 4.25706 4.141685 4.015598 3.876605 3.721759 3.546973 3.346342 3.110872 2.82587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.47762e-10 7.909589000000001e-10 7.557546e-10 7.301768000000001e-10 7.100757e-10 6.935147e-10 6.794316000000001e-10 6.671805e-10 6.563392000000001e-10 6.466164e-10 6.378028e-10 6.297428e-10 6.223175e-10 6.154344000000001e-10 6.090195e-10 6.030132000000001e-10 5.973666e-10 5.92039e-10 5.869962000000001e-10 5.822095e-10 5.776539e-10 5.733082e-10 5.69154e-10 5.65175e-10 5.611524e-10 5.570071e-10 5.527313999999999e-10 5.483167e-10 5.437538e-10 5.390324e-10 5.34141e-10 5.290670000000001e-10 5.237961000000001e-10 5.183125e-10 5.125982999999999e-10 5.066333000000001e-10 5.003943e-10 4.938551000000001e-10 4.869853e-10 4.797495e-10 4.721067999999999e-10 4.640084e-10 4.5539680000000006e-10 4.4620220000000005e-10 4.363401e-10 4.2570600000000004e-10 4.141685e-10 4.015598e-10 3.8766050000000004e-10 3.7217590000000004e-10 3.546973e-10 3.346342e-10 3.110872e-10 2.8258700000000003e-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" [ 1.35275 2.10989 2.32771 2.49168 2.65885 2.85594 3.08002 3.319 3.54589 3.73448 3.90783 4.08379 4.27558 4.49042 4.72866 4.98701 5.2593 5.51268 5.72351 5.88932 6.01171 6.09431 6.1416 6.15762 6.14097 6.09024 6.00327 5.87691 5.7079 5.49047 5.21504 4.8694 4.44309 3.93208 3.33833 2.67504 1.96637 1.24926 0.572182 0.020785 -0.338922 -0.564129 -0.787927 -1.12313 -1.45544 -1.82546 -2.26273 -2.70022 -3.12534 -3.58775 -4.30015 -7.48423 -14.038 -31.1223 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1673444416434997e-19 3.38041645831026e-19 3.72940257272814e-19 3.99211147540512e-19 4.2599473433109e-19 4.57572033610596e-19 4.93473607625268e-19 5.317624248246e-19 5.68114210473426e-19 5.98329659614032e-19 6.26103391564422e-19 6.542952916162859e-19 6.850234372797719e-19 7.19444600084628e-19 7.576148562130439e-19 7.990070895524339e-19 8.426327571196198e-19 8.832287086719118e-19 9.17007398646534e-19 9.435730894148878e-19 9.63182129238414e-19 9.764161082352539e-19 9.8399280153744e-19 9.865594885051079e-19 9.83891864409498e-19 9.75764022345216e-19 9.618298921593178e-19 9.415847882120939e-19 9.1450640092086e-19 8.79670274367798e-19 8.35541523337536e-19 7.801638901599599e-19 7.118614980759059e-19 6.29988669901872e-19 5.348594322581219e-19 4.28588658301536e-19 3.1504720677985796e-19 2.00153518179084e-19 9.167366307953878e-20 3.330124133769e-21 -5.430129091485479e-20 -9.03834302361786e-20 -1.262398228697718e-19 -1.7994526429444198e-19 -2.33187196018896e-19 -2.92470935830164e-19 -3.6252931350508197e-19 -4.3262293906594796e-19 -5.007346721305559e-19 -5.7482092186335e-19 -6.8895998526951e-19 -1.199105842948182e-18 -2.2491355588091998e-18 -4.98634218563382e-18 ] } }