{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.86235 5.46955 5.226109 5.049235 4.910234 4.795713 4.698327 4.613609 4.53864 4.471406 4.410459 4.354723 4.303377 4.255779 4.21142 4.169885 4.130838 4.093997 4.059126 4.026025 3.994523 3.964472 3.935745 3.90823 3.889498 3.869784 3.848978 3.826953 3.803556 3.778606 3.751882 3.723111 3.691954 3.657979 3.620626 3.579146 3.532516 3.47927 3.417218 3.342856 3.250063 3.12658 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.86235e-10 5.46955e-10 5.226109e-10 5.049235e-10 4.910234e-10 4.795713e-10 4.698327000000001e-10 4.613609e-10 4.53864e-10 4.471406e-10 4.4104590000000003e-10 4.354723e-10 4.3033770000000003e-10 4.2557790000000005e-10 4.211420000000001e-10 4.169885e-10 4.130838e-10 4.093997e-10 4.059126e-10 4.026025e-10 3.994523e-10 3.9644720000000005e-10 3.935745e-10 3.9082300000000003e-10 3.889498e-10 3.8697840000000005e-10 3.848978e-10 3.8269530000000003e-10 3.803556e-10 3.778606e-10 3.751882e-10 3.723111e-10 3.691954e-10 3.657979e-10 3.6206260000000004e-10 3.5791460000000003e-10 3.5325160000000004e-10 3.4792700000000003e-10 3.4172180000000004e-10 3.342856e-10 3.250063e-10 3.12658e-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 0 8.99894e-11 0.00268543 0.0819679 0.360592 0.828175 1.40939 2.03497 2.65739 3.24792 3.79091 4.27904 4.71009 5.0848 5.4056 5.67574 5.89887 6.07868 6.21877 6.32256 6.39322 6.43368 6.44661 6.44051 6.42072 6.38464 6.32911 6.25016 6.14286 6.00094 5.81628 5.57828 5.27271 4.88014 4.37362 3.71605 2.85289 1.68923 0.0289062 -2.57804 -7.28683 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.4417891279981952e-29 4.302533162794944e-22 1.3132705303607232e-20 5.777320720475137e-20 1.32688262293104e-19 2.258091707589312e-19 3.260381358029376e-19 4.2576081303477123e-19 5.203741490228736e-19 6.073707373556928e-19 6.855777847468033e-19 7.546396079863873e-19 8.146747681443841e-19 8.66072594139648e-19 9.093537933739393e-19 9.451031603138496e-19 9.739118981324546e-19 9.963567904132416e-19 1.0129857815605248e-18 1.0243067615630977e-18 1.0307891681708545e-18 1.0328607825415489e-18 1.0318834548028608e-18 1.0287127472702977e-18 1.0229320940224513e-18 1.0140352072471489e-18 1.001386022825933e-18 9.841946676847488e-19 9.614565770823552e-19 9.318707836026624e-19 8.937389800276224e-19 8.447812690258369e-19 7.818846214230912e-19 7.007311712263296e-19 5.953768431723841e-19 4.570833659714112e-19 2.706444813153984e-19 4.631283783616896e-21 -4.1304754154872327e-19 -1.1674788665744065e-18 ] } }