{ "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" [ 14.9015 13.90305 13.28425 12.834659 12.481336 12.190236 11.942692 11.72735 11.536788 11.365887 11.210967 11.069292 10.938776 10.817788 10.705032 10.599457 10.500204 10.406559 10.31792 10.233781 10.153706 10.077321 10.0043 9.93436 9.863653 9.790789 9.715633 9.638034 9.55783 9.47484 9.388861 9.299673 9.207024 9.110637 9.010196 8.905345 8.79568 8.680737 8.559983 8.432797 8.298457 8.156109 8.004737 7.84312 7.66977 7.482848 7.280048 7.05842 6.814105 6.541926 6.234696 5.882037 5.468141 4.96718 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.49015e-09 1.390305e-09 1.328425e-09 1.2834659e-09 1.2481336e-09 1.2190236000000001e-09 1.1942692e-09 1.172735e-09 1.1536788e-09 1.1365887000000001e-09 1.1210967e-09 1.1069292000000002e-09 1.0938776e-09 1.0817788e-09 1.0705032e-09 1.0599457e-09 1.0500204e-09 1.0406559e-09 1.031792e-09 1.0233781e-09 1.0153706e-09 1.0077321e-09 1.00043e-09 9.93436e-10 9.863653e-10 9.790789e-10 9.715633000000001e-10 9.638034e-10 9.55783e-10 9.474840000000002e-10 9.388861e-10 9.299673e-10 9.207024000000001e-10 9.110637000000001e-10 9.010196000000001e-10 8.905345000000001e-10 8.795680000000001e-10 8.680737000000001e-10 8.559983000000001e-10 8.432797000000001e-10 8.298457000000002e-10 8.156109000000001e-10 8.004737000000001e-10 7.84312e-10 7.66977e-10 7.482848e-10 7.280048e-10 7.05842e-10 6.814105e-10 6.541926e-10 6.234696e-10 5.882037e-10 5.468141000000001e-10 4.96718e-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" [ 0.0100041 0.0149959 0.0193839 0.0234037 0.0271628 0.030683 0.0340049 0.0371275 0.0400607 0.0428103 0.0453815 0.0477812 0.0500019 0.0520428 0.0539081 0.0555983 0.057102 0.0584161 0.0595372 0.0604617 0.0611857 0.0617051 0.0620232 0.0621312 0.0620093 0.0616017 0.0608329 0.0596122 0.0578149 0.0552834 0.0518155 0.0471477 0.0409333 0.0327157 0.0218756 0.00757308 -0.0113269 -0.0364495 -0.0700765 -0.115481 -0.177514 -0.263482 -0.384734 -0.559334 -0.817092 -1.20927 -1.82821 -2.85039 -4.63702 -7.99477 -14.9365 -31.2768 -77.593 -252.177 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.60283352641994e-21 2.4026080585800597e-21 3.1056431655792597e-21 3.749686128914579e-21 4.3519603474015195e-21 4.915958566102199e-21 5.4481856221506594e-21 5.948481297883499e-21 6.4184317481683795e-21 6.85896623545302e-21 7.270917891587099e-21 7.65539221844808e-21 8.01118758356046e-21 8.33817581279352e-21 8.637029820333539e-21 8.90782971501222e-21 9.1487490154668e-21 9.35929104694074e-21 9.538911069378479e-21 9.687032299191779e-21 9.80302988749338e-21 9.886246941863339e-21 9.93721218059088e-21 9.954515688238079e-21 9.93498515506962e-21 9.86968043546778e-21 9.74650509584586e-21 9.55092739413348e-21 9.26296818770466e-21 8.85737717280756e-21 8.3017583379027e-21 7.553894328684179e-21 6.558237681251219e-21 5.241633010495379e-21 3.5048575174730395e-21 1.2133411823412719e-21 -1.81476945156546e-21 -5.8398537220983e-21 -1.12274930892501e-20 -1.85020959870954e-20 -2.8440878300787596e-20 -4.22144703879588e-20 -6.16411825105356e-20 -8.96151865401756e-20 -1.309125710228328e-19 -1.93746413819718e-19 -2.92911534404514e-19 -4.56682825578726e-19 -7.429325095390679e-19 -1.280903368820418e-18 -2.3930911293741e-18 -5.01109581462912e-18 -1.24317691561962e-17 -4.0403209703221797e-17 ] } }