{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.1861 9.503597 9.080609 8.773286 8.531767 8.332782 8.16357 8.016371 7.886109 7.769288 7.66339 7.566547 7.477331 7.394628 7.317552 7.245385 7.17754 7.113527 7.052937 6.995423 6.940687 6.888473 6.838558 6.79075 6.742418 6.692611 6.641237 6.588193 6.533369 6.47664 6.417868 6.356902 6.293572 6.227685 6.159027 6.087356 6.012393 5.933823 5.851279 5.76434 5.672511 5.575207 5.471735 5.36126 5.242765 5.114992 4.976366 4.82487 4.657866 4.471815 4.261805 4.02074 3.737818 3.39538 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01861e-09 9.503597e-10 9.080609000000001e-10 8.773286000000001e-10 8.531767e-10 8.332782e-10 8.16357e-10 8.016370999999999e-10 7.886109e-10 7.769288000000001e-10 7.66339e-10 7.566547e-10 7.477331e-10 7.394628e-10 7.317552e-10 7.245385e-10 7.17754e-10 7.113527000000001e-10 7.052937e-10 6.995423e-10 6.940687e-10 6.888473e-10 6.838558000000001e-10 6.790750000000001e-10 6.742418e-10 6.692611000000001e-10 6.641237e-10 6.588193000000001e-10 6.533369000000001e-10 6.476639999999999e-10 6.417868e-10 6.356902e-10 6.293572e-10 6.227685e-10 6.159027e-10 6.087356e-10 6.012393000000001e-10 5.933823000000001e-10 5.851279e-10 5.76434e-10 5.672511e-10 5.575207e-10 5.471735e-10 5.36126e-10 5.242765000000001e-10 5.114992e-10 4.976366e-10 4.82487e-10 4.657866000000001e-10 4.4718150000000007e-10 4.261805e-10 4.02074e-10 3.737818e-10 3.39538e-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" [ 0.157339 0.251154 0.336033 0.4148 0.485276 0.548145 0.604906 0.656627 0.704036 0.747572 0.787412 0.82358 0.85609 0.885021 0.910514 0.932733 0.951847 0.968033 0.981399 0.992087 1.00022 1.0059 1.00923 1.01032 1.00914 1.00533 0.998416 0.987843 0.973001 0.953092 0.927262 0.894494 0.853618 0.803302 0.741825 0.66676 0.575053 0.462886 0.325332 0.155377 -0.0565433 -0.323127 -0.66175 -1.09676 -1.66305 -2.41289 -3.42713 -4.83407 -6.84599 -9.83077 -14.4711 -22.152 -36.0105 -64.3353 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5208486941692598e-20 4.0239307033563597e-20 5.38384220852922e-20 6.645828677831999e-20 7.77497868240984e-20 8.782251110439299e-20 9.69166258966404e-20 1.0520324366535178e-19 1.1279900286948238e-19 1.197742390632648e-19 1.2615731077312078e-19 1.3195206322297198e-19 1.37160739460106e-19 1.417959966799314e-19 1.458804255729876e-19 1.494403018360722e-19 1.525027022542998e-19 1.5509598535409219e-19 1.572374546430966e-19 1.589498610295158e-19 1.60252911285948e-19 1.6116294761406e-19 1.61696472433182e-19 1.61871109686288e-19 1.6168205284347597e-19 1.61071623545922e-19 1.599638786211744e-19 1.5826989726604618e-19 1.558919467058634e-19 1.527021732452328e-19 1.485637509996108e-19 1.433137386053196e-19 1.3676468139618118e-19 1.2870316944454678e-19 1.18853468151705e-19 1.0682672924858399e-19 9.21336479911602e-20 7.41625133405724e-20 5.21239328692488e-20 2.4894139886101796e-20 -9.05923540692522e-21 -5.17706529214518e-20 -1.0602403875494999e-19 -1.7572032451058397e-19 -2.6644998511737e-19 -3.86587597841226e-19 -5.490867607680419e-19 -7.745034001120379e-19 -1.096848521459766e-18 -1.5750629988228178e-18 -2.3185258288277396e-18 -3.5491416796367996e-18 -5.7695181678657e-18 -1.030765144013802e-17 ] } }