{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.36083 8.733619 8.344899 8.062473 7.84052 7.657656 7.502153 7.366879 7.24717 7.139813 7.042494 6.953497 6.871509 6.795506 6.724674 6.658354 6.596004 6.537178 6.481497 6.428642 6.37834 6.330356 6.284485 6.24055 6.21064 6.179161 6.145939 6.11077 6.073411 6.033572 5.990899 5.944959 5.895208 5.840959 5.781314 5.715081 5.640623 5.555603 5.456519 5.337782 5.189613 4.99244 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.36083e-10 8.733619e-10 8.344899e-10 8.062473e-10 7.84052e-10 7.657656000000001e-10 7.502153e-10 7.366879e-10 7.24717e-10 7.139813000000001e-10 7.042493999999999e-10 6.953497e-10 6.871509e-10 6.795506e-10 6.724674000000001e-10 6.658354e-10 6.596004e-10 6.537178e-10 6.481497e-10 6.428642e-10 6.37834e-10 6.330356000000001e-10 6.284485000000001e-10 6.24055e-10 6.21064e-10 6.179161e-10 6.145939e-10 6.11077e-10 6.073411e-10 6.033572e-10 5.990899e-10 5.944959e-10 5.895208e-10 5.840959e-10 5.781314e-10 5.715080999999999e-10 5.640623e-10 5.555603e-10 5.456519000000001e-10 5.337782e-10 5.189612999999999e-10 4.992440000000001e-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" [ 0.816158 1.03095 1.17936 1.29073 1.38322 1.46536 1.53687 1.59662 1.64692 1.69028 1.72853 1.76236 1.79237 1.81938 1.8441 1.86694 1.88795 1.90686 1.92323 1.93657 1.94669 1.95363 1.95758 1.95883 1.95826 1.95642 1.95314 1.94818 1.94127 1.93195 1.9195 1.90261 1.87866 1.84457 1.79855 1.73581 1.64868 1.52416 1.33802 1.0393 0.509549 -0.562173 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.307629277252172e-19 1.6517640008223e-19 1.8895430350742398e-19 2.0679774468028198e-19 2.2161627636814795e-19 2.34776555239824e-19 2.46233720349558e-19 2.5580672573770795e-19 2.63865674206728e-19 2.7081271209175197e-19 2.7694103771680195e-19 2.8236120126962398e-19 2.87169333348258e-19 2.91496812436692e-19 2.9545739307594e-19 2.99116764507996e-19 3.0248293761603e-19 3.05512653630924e-19 3.0813541678078196e-19 3.10272720410538e-19 3.1189412316414597e-19 3.1300603374814196e-19 3.13638893518572e-19 3.13839165597822e-19 3.1374784152968397e-19 3.13453041029028e-19 3.12927527093076e-19 3.12132847482612e-19 3.11025743428518e-19 3.0953251480562997e-19 3.0753780489629996e-19 3.0483172856147395e-19 3.00994515523044e-19 2.95532695377738e-19 2.8815947850807e-19 2.78107422306354e-19 2.6414765729431196e-19 2.44197353847744e-19 2.1437443798246799e-19 1.6651421757161996e-19 8.16387501678066e-20 -9.00700444865682e-20 ] } }