{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 9.40686 8.776566 8.385934 8.10212 7.879076 7.695313 7.539045 7.403106 7.282809 7.174924 7.077127 6.987692 6.905301 6.828924 6.757744 6.691098 6.628442 6.569326 6.513371 6.460256 6.409707 6.361487 6.315391 6.27124 6.241183 6.209549 6.176163 6.140821 6.103279 6.063244 6.020361 5.974195 5.924199 5.869683 5.809745 5.743186 5.668362 5.582923 5.483352 5.364031 5.215133 5.01699 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.40686e-10 8.776566000000001e-10 8.385934e-10 8.10212e-10 7.879076000000001e-10 7.695313e-10 7.539045e-10 7.403106000000001e-10 7.282809000000001e-10 7.174924e-10 7.077127000000001e-10 6.987692e-10 6.905301e-10 6.828924e-10 6.757744e-10 6.691098e-10 6.628442e-10 6.569326e-10 6.513371000000001e-10 6.460256e-10 6.409707e-10 6.361487e-10 6.315391e-10 6.27124e-10 6.241183000000001e-10 6.209549e-10 6.176163e-10 6.140821e-10 6.103279e-10 6.063244e-10 6.020361e-10 5.974195e-10 5.924199e-10 5.869683000000001e-10 5.809745000000001e-10 5.743186e-10 5.668362e-10 5.582923000000001e-10 5.483352e-10 5.364031e-10 5.215133e-10 5.01699e-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" [ 0.0951402 -0.11066 -0.2466 -0.311509 -0.347115 -0.367097 -0.369557 -0.356687 -0.334079 -0.306007 -0.275577 -0.245751 -0.218482 -0.194367 -0.173523 -0.155954 -0.140683 -0.126826 -0.11478 -0.10468 -0.0965907 -0.0906499 -0.0869746 -0.085716 -0.0863576 -0.0885236 -0.0926471 -0.0992811 -0.109171 -0.123348 -0.143217 -0.170735 -0.207803 -0.254329 -0.313349 -0.390042 -0.492085 -0.631275 -0.825083 -1.1121 -1.55944 -2.24669 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5243140413823617e-20 -1.77296864857728e-20 -3.9509675468928e-20 -4.990924369687872e-20 -5.561395377289921e-20 -5.881542309658177e-20 -5.920955854529856e-20 -5.714755723432896e-20 -5.3525356330024327e-20 -4.902772612011456e-20 -4.4152302663020164e-20 -3.937365067382208e-20 -3.5004675246562566e-20 -3.114102632550336e-20 -2.7801449377107843e-20 -2.4986585272024323e-20 -2.2539901354400642e-20 -2.031976521095808e-20 -1.83897832535424e-20 -1.67715848665344e-20 -1.5475536132670656e-20 -1.4523715045785795e-20 -1.3934867072343168e-20 -1.3733217122849282e-20 -1.383601277483981e-20 -1.4183044230905088e-20 -1.484370176049197e-20 -1.590658573073069e-20 -1.749112238693568e-20 -1.976252818224384e-20 -2.2945892910111362e-20 -2.73547625352288e-20 -3.329371083321024e-20 -4.0747997779144326e-20 -5.020404419510592e-20 -6.249161735300736e-20 -7.88407082446368e-20 -1.01141404629552e-19 -1.3219286928195265e-19 -1.7817806199916802e-19 -2.498498309540352e-19 -3.5995941921851524e-19 ] } }