{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.07217 7.531305 7.196099 6.952554 6.761157 6.603467 6.469372 6.35272 6.249492 6.156914 6.072993 5.996247 5.925546 5.860007 5.798926 5.741736 5.68797 5.637242 5.589226 5.543648 5.500271 5.458893 5.419337 5.38145 5.355657 5.328512 5.299863 5.269536 5.23732 5.202965 5.166167 5.126551 5.08365 5.036868 4.985434 4.92832 4.864112 4.790795 4.705352 4.60296 4.475189 4.30516 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.07217e-10 7.531305e-10 7.196099e-10 6.952554e-10 6.761157e-10 6.603467000000001e-10 6.469372e-10 6.35272e-10 6.249492000000001e-10 6.156914000000001e-10 6.072993e-10 5.996247000000001e-10 5.925546e-10 5.860007000000001e-10 5.798926e-10 5.741736000000001e-10 5.68797e-10 5.637242e-10 5.589226000000001e-10 5.543648e-10 5.500271e-10 5.458892999999999e-10 5.419336999999999e-10 5.38145e-10 5.355657e-10 5.328512e-10 5.299863e-10 5.269536e-10 5.23732e-10 5.202965e-10 5.166167e-10 5.126551000000001e-10 5.083649999999999e-10 5.036868000000001e-10 4.985434e-10 4.928320000000001e-10 4.864112e-10 4.790795e-10 4.705352e-10 4.6029600000000007e-10 4.4751890000000003e-10 4.30516e-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" [ 1.35122 2.0254 2.61791 3.16097 3.66858 4.14408 4.59265 5.01431 5.41039 5.78167 6.129 6.45304 6.75292 7.0285 7.28062 7.50885 7.7119 7.88935 8.04074 8.16558 8.26334 8.33348 8.37667 8.39125 8.38391 8.3592 8.31215 8.23623 8.12304 7.96044 7.73172 7.41346 6.97187 6.35667 5.49076 4.25178 2.43332 -0.329126 -4.73807 -12.2934 -26.6927 -59.4851 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1648930935573764e-19 3.24504852776832e-19 4.1943541973585283e-19 5.064432233050176e-19 5.877713107534465e-19 6.639548090724864e-19 7.35823645751712e-19 8.033810251443649e-19 8.668400367410112e-19 9.263256503180736e-19 9.8197405088832e-19 1.0338909821087232e-18 1.0819370546132736e-18 1.12608983792928e-18 1.1664839148928896e-18 1.2030503919094081e-18 1.2355825881947521e-18 1.2640132123308482e-18 1.2882685641931393e-18 1.3082701371272066e-18 1.3239330157721471e-18 1.3351706825904384e-18 1.3420904834156738e-18 1.3444264569288e-18 1.3432504592891329e-18 1.339291480859136e-18 1.3317532398582723e-18 1.3195895149531585e-18 1.3014544777823231e-18 1.2754030859281153e-18 1.2387581022571778e-18 1.1877672291235969e-18 1.1170167117256897e-18 1.0184508060140737e-18 8.797167302423808e-19 6.812102512785025e-19 3.8986084149250566e-19 -5.273179824974208e-20 -7.591224981713855e-19 -1.969619807014272e-18 -4.276641988602816e-18 -9.530563650595008e-18 ] } }