{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.63211 8.053727 7.695268 7.434828 7.230155 7.061526 6.918129 6.793385 6.682996 6.583996 6.494254 6.412185 6.336579 6.266493 6.201175 6.140018 6.082523 6.028276 5.976929 5.928189 5.881803 5.837555 5.795255 5.75474 5.713781 5.671573 5.628036 5.583086 5.536625 5.488551 5.438746 5.387081 5.333411 5.277576 5.219393 5.158656 5.09513 5.028546 4.958596 4.88492 4.8071 4.724641 4.636955 4.543334 4.442917 4.334637 4.21716 4.088776 3.94725 3.789583 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.632110000000001e-10 8.053727e-10 7.695268e-10 7.434828000000001e-10 7.230155000000001e-10 7.061526e-10 6.918129000000001e-10 6.793385e-10 6.682996e-10 6.583996e-10 6.494254e-10 6.412185e-10 6.336579e-10 6.266493e-10 6.201175000000001e-10 6.140018000000001e-10 6.082523000000001e-10 6.028276e-10 5.976929e-10 5.928189e-10 5.881803e-10 5.837555000000001e-10 5.795255e-10 5.75474e-10 5.713781000000001e-10 5.671573000000001e-10 5.628036e-10 5.583086e-10 5.536625e-10 5.488551e-10 5.438746e-10 5.387081e-10 5.333411e-10 5.277576e-10 5.219393e-10 5.158655999999999e-10 5.095130000000001e-10 5.028546000000001e-10 4.958596000000001e-10 4.884920000000001e-10 4.8071e-10 4.724641e-10 4.636955000000001e-10 4.5433339999999997e-10 4.442917e-10 4.334637e-10 4.21716e-10 4.0887760000000005e-10 3.94725e-10 3.7895830000000003e-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" [ 0.834691 1.20879 1.48736 1.71271 1.89931 2.05717 2.19257 2.30981 2.41212 2.50323 2.58334 2.65383 2.71579 2.7701 2.81744 2.85716 2.89088 2.9192 2.94248 2.96103 2.97511 2.98494 2.99071 2.9926 2.99055 2.98387 2.97163 2.95272 2.92584 2.88942 2.84113 2.7783 2.69755 2.59446 2.4631 2.29674 2.08595 1.81886 1.4784 1.04235 0.48068 -0.248028 -1.19986 -2.45215 -4.1138 -6.3411 -9.35972 -13.5063 -19.3005 -27.5836 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3373224168100939e-19 1.93669509341286e-19 2.38301343834624e-19 2.74406394281814e-19 3.04303010272254e-19 3.29594970616578e-19 3.51288442240938e-19 3.70072361097954e-19 3.8646423024040794e-19 4.0106166155278195e-19 4.13896698567756e-19 4.25190441660822e-19 4.35117528085086e-19 4.4381894938433995e-19 4.51403653569696e-19 4.57767499159944e-19 4.63170038769792e-19 4.6770740299728e-19 4.71437270201232e-19 4.74409307857302e-19 4.766651725579739e-19 4.782401121891959e-19 4.79164568107014e-19 4.7946737949084e-19 4.7913893328087e-19 4.78068679289358e-19 4.76107615089342e-19 4.73077899074448e-19 4.68771248282256e-19 4.62936120981228e-19 4.55199210015642e-19 4.4513273422422e-19 4.3219515790467e-19 4.1567831898476403e-19 3.9463212672053993e-19 3.6797831623731596e-19 3.3420603496922997e-19 2.91413499251724e-19 2.3686579357055997e-19 1.6700288144499e-19 7.7013426443112e-20 -3.97384666177752e-20 -1.9223876560712397e-19 -3.9287774330631e-19 -6.5910342369492e-19 -1.01595622538574e-18 -1.4995924684782479e-18 -2.16394782717942e-18 -3.0922810124516996e-18 -4.41937994016024e-18 ] } }