{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1041 7.561095 7.224562 6.980053 6.787898 6.629584 6.494958 6.377844 6.274208 6.181263 6.09701 6.019961 5.94898 5.883181 5.821858 5.764442 5.710463 5.659534 5.611329 5.56557 5.522021 5.480479 5.440767 5.40273 5.376835 5.349582 5.320821 5.290373 5.25803 5.223539 5.186595 5.146822 5.103751 5.056784 5.005147 4.947806 4.883344 4.809737 4.723956 4.621159 4.492882 4.32218 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.104100000000001e-10 7.561095e-10 7.224562e-10 6.980053e-10 6.787898e-10 6.629584000000001e-10 6.494958e-10 6.377844e-10 6.274208e-10 6.181263000000001e-10 6.09701e-10 6.019961000000001e-10 5.94898e-10 5.883181000000001e-10 5.821858e-10 5.764442e-10 5.710463e-10 5.659534e-10 5.611329e-10 5.565570000000001e-10 5.522021e-10 5.480479e-10 5.440767e-10 5.402730000000001e-10 5.376835e-10 5.349582e-10 5.320820999999999e-10 5.290373e-10 5.25803e-10 5.223539e-10 5.186595e-10 5.146822e-10 5.103751e-10 5.056784000000001e-10 5.005147e-10 4.947806e-10 4.883344000000001e-10 4.809737e-10 4.723956000000001e-10 4.621159e-10 4.492882e-10 4.3221800000000007e-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" [ 0.028185 0.230446 1.48582 2.55432 2.97656 3.20507 3.3651 3.51903 3.66807 3.80706 3.93516 4.05057 4.15311 4.24296 4.32139 4.38912 4.44647 4.49449 4.53586 4.57 4.59625 4.61441 4.62482 4.62814 4.62659 4.62157 4.61232 4.59789 4.57711 4.54851 4.51011 4.45927 4.39237 4.3045 4.189 4.03177 3.80357 3.47586 3.05371 2.46067 1.75603 0.968156 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.5157348057248005e-21 3.6921519355687685e-20 2.380546066717056e-19 4.0924717860418566e-19 4.768974842408448e-19 5.135088222027456e-19 5.39148454665408e-19 5.638107593893824e-19 5.876895997457856e-19 6.099582525982848e-19 6.304821351107329e-19 6.489728554913856e-19 6.654015745610688e-19 6.797971314989569e-19 6.923630027358913e-19 7.032145449885697e-19 7.124030279088576e-19 7.200966800419392e-19 7.267248847221888e-19 7.321947157056001e-19 7.364004293352001e-19 7.393099820785729e-19 7.409778479408256e-19 7.415097705789313e-19 7.412614332027073e-19 7.404571405390657e-19 7.3897512716482575e-19 7.366631863010112e-19 7.333338632829889e-19 7.287516381475009e-19 7.225992799236288e-19 7.144538139834817e-19 7.037352523903296e-19 6.8965692642336e-19 6.7115178645312e-19 6.459607634442816e-19 6.093990929576256e-19 5.568941629173888e-19 4.892582768703168e-19 3.942427945503936e-19 2.813470211423424e-19 1.551156908487245e-19 ] } }