{ "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" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.152391 6.121207 6.088297 6.053457 6.016449 5.976984 5.934711 5.889202 5.839918 5.786178 5.727092 5.661481 5.587722 5.503499 5.405345 5.287722 5.140943 4.94562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.152391e-10 6.121207000000001e-10 6.088297e-10 6.053457000000001e-10 6.016449e-10 5.976984e-10 5.934711000000001e-10 5.889202e-10 5.839918e-10 5.786177999999999e-10 5.727092e-10 5.661481000000001e-10 5.587722e-10 5.503499e-10 5.405345e-10 5.287722e-10 5.140943000000001e-10 4.94562e-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" [ 1.54514 2.31607 2.99362 3.61462 4.19507 4.73882 5.25177 5.73395 6.18687 6.61145 7.00862 7.37917 7.72208 8.03722 8.32552 8.58652 8.81872 9.02164 9.19476 9.33751 9.44931 9.52952 9.57891 9.59559 9.5872 9.55894 9.50515 9.41833 9.28891 9.10299 8.84144 8.47752 7.97255 7.2691 6.27893 4.86215 2.78277 -0.376033 -5.41765 -14.057 -30.5225 -68.0204 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.4755871838629122e-19 3.710753206136256e-19 4.796307975559296e-19 5.791259657076097e-19 6.721243076619457e-19 7.592426614179456e-19 8.414263111818816e-19 9.186800634836161e-19 9.912458469928896e-19 1.059271061958816e-18 1.1229047108071296e-18 1.1822733654908738e-18 1.2372136039947266e-18 1.2877045980226175e-18 1.3338953500002815e-18 1.3757121598031616e-18 1.4129147009381377e-18 1.4454260689274113e-18 1.473162950586701e-18 1.496034021848621e-18 1.513946356469165e-18 1.5267974151446016e-18 1.534710565474733e-18 1.5373829960782271e-18 1.536038769893376e-18 1.5315110187629953e-18 1.5228929107197121e-18 1.5089828132979263e-18 1.4882474434715328e-18 1.4584597757376193e-18 1.4165548462205953e-18 1.3582484346364416e-18 1.277343321815904e-18 1.1646382074257281e-18 1.0059954849639745e-18 7.79002305682272e-19 4.458489035063616e-19 -6.024712812492864e-20 -8.680032169677121e-19 -2.25217967585856e-18 -4.8902435908368e-18 -1.0898069461746431e-17 ] } }