{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.63452 4.32399 4.131536 3.991708 3.88182 3.791285 3.714295 3.647321 3.588054 3.534902 3.48672 3.442658 3.402065 3.364437 3.329368 3.296533 3.265664 3.236539 3.208972 3.182804 3.157899 3.134143 3.111432 3.08968 3.067689 3.045028 3.021654 2.99752 2.972576 2.946765 2.920025 2.892286 2.863472 2.833494 2.802256 2.769647 2.73554 2.699791 2.662236 2.62268 2.580899 2.536627 2.489549 2.439285 2.385371 2.327237 2.264164 2.195235 2.119251 2.034601 1.93905 1.829369 1.700644 1.54484 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6345200000000006e-10 4.32399e-10 4.131536e-10 3.991708e-10 3.88182e-10 3.791285e-10 3.714295e-10 3.647321e-10 3.588054e-10 3.5349020000000005e-10 3.48672e-10 3.4426580000000005e-10 3.402065e-10 3.364437e-10 3.329368e-10 3.296533e-10 3.2656640000000003e-10 3.236539e-10 3.2089720000000004e-10 3.182804e-10 3.157899e-10 3.134143e-10 3.111432e-10 3.08968e-10 3.0676890000000003e-10 3.045028e-10 3.021654e-10 2.9975200000000004e-10 2.9725760000000003e-10 2.9467650000000003e-10 2.920025e-10 2.892286e-10 2.863472e-10 2.833494e-10 2.802256e-10 2.769647e-10 2.73554e-10 2.699791e-10 2.662236e-10 2.62268e-10 2.580899e-10 2.536627e-10 2.4895489999999996e-10 2.439285e-10 2.3853710000000004e-10 2.327237e-10 2.2641640000000002e-10 2.1952349999999999e-10 2.1192510000000003e-10 2.034601e-10 1.93905e-10 1.829369e-10 1.700644e-10 1.54484e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.257687 0.822204 1.21952 1.49021 1.72152 1.89384 2.03755 2.16474 2.25112 2.29358 2.32211 2.37089 2.44978 2.54472 2.62994 2.68643 2.71563 2.73091 2.7432 2.75561 2.76629 2.7731 2.77532 2.7732 2.76731 2.75854 2.74702 2.73076 2.70432 2.65425 2.55629 2.39694 2.19977 2.00258 1.85323 1.82938 1.73108 1.46894 1.26193 1.11982 0.706128 -0.280758 3.6343 4.65052 1.078 -4.15319 -11.5181 -27.052 -5.9175 6.86715 -13.1435 80.8169 -129.62 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 4.1286009028555794e-20 1.317316037181336e-19 1.9538864486956798e-19 2.38757964175314e-19 2.7581791189636797e-19 3.03426619653456e-19 3.2645150006066996e-19 3.4682958466851597e-19 3.6066918643300795e-19 3.67472028420972e-19 3.7204303835777394e-19 3.79858455978426e-19 3.92498027444052e-19 4.0770909240724795e-19 4.2136284168219596e-19 4.3041353748766197e-19 4.35091893258942e-19 4.37540019155694e-19 4.3950909423888e-19 4.414973954416739e-19 4.43208520086786e-19 4.4429960237454e-19 4.44655285587288e-19 4.4431562414088e-19 4.43371942103454e-19 4.41966833195436e-19 4.40121125713068e-19 4.37515986506184e-19 4.33279831485888e-19 4.2525773307945e-19 4.09562810772786e-19 3.8403212610999595e-19 3.52442009417418e-19 3.2084868837157197e-19 2.9692018034278196e-19 2.93098989070692e-19 2.7734959275847196e-19 2.3535013447479595e-19 2.0218347597436198e-19 1.79414943828588e-19 1.1313417822131518e-19 -4.4982390740857196e-20 5.8227905409462e-19 7.45095447994968e-19 1.727146411452e-19 -6.65414397456246e-19 -1.84540306880754e-18 -4.3342082302968e-18 -9.480880231695e-19 1.1002387272173098e-18 -2.1058208588979e-18 1.294829488123146e-17 -2.0767413529908e-17 ] } }