{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 9.19562 8.579479 8.197619 7.920178 7.702142 7.522506 7.369747 7.23686 7.119264 7.013802 6.918201 6.830774 6.750233 6.675571 6.60599 6.54084 6.479591 6.421803 6.367104 6.315182 6.265768 6.218631 6.17357 6.13041 6.101028 6.070104 6.037469 6.002921 5.966221 5.927085 5.885166 5.840036 5.791164 5.737872 5.67928 5.614216 5.541072 5.457552 5.360218 5.243576 5.098023 4.90433 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.19562e-10 8.579479e-10 8.197619e-10 7.920178e-10 7.702142000000001e-10 7.522506e-10 7.369747e-10 7.236860000000001e-10 7.119264e-10 7.013802000000001e-10 6.918201e-10 6.830774e-10 6.750233e-10 6.675571e-10 6.605990000000001e-10 6.54084e-10 6.479591e-10 6.421803e-10 6.367104000000001e-10 6.315182000000001e-10 6.265767999999999e-10 6.218631e-10 6.17357e-10 6.130410000000001e-10 6.101028000000001e-10 6.070104e-10 6.037469e-10 6.002920999999999e-10 5.966221e-10 5.927085000000001e-10 5.885166e-10 5.840036e-10 5.791164000000001e-10 5.737872000000001e-10 5.67928e-10 5.614216e-10 5.541072e-10 5.457552e-10 5.360218e-10 5.243576e-10 5.098023e-10 4.90433e-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" [ -0.132294 0.183234 0.537041 0.869466 1.15903 1.40402 1.60979 1.78461 1.93838 2.07617 2.20041 2.3115 2.40706 2.48566 2.54847 2.59913 2.64062 2.67504 2.70311 2.72504 2.74107 2.7515 2.75694 2.75853 2.75785 2.75577 2.75218 2.74695 2.73997 2.73143 2.72167 2.71101 2.69971 2.68798 2.67483 2.65742 2.63058 2.58725 2.52487 2.44045 2.3271 2.18294 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.119583538721152e-20 2.935732309356672e-20 8.604345346110529e-20 1.3930380977804928e-19 1.856970768805824e-19 2.2494880191356163e-19 2.5791679023976324e-19 2.8592604192458883e-19 3.1056271182263044e-19 3.326391034806336e-19 3.5254454581745284e-19 3.7034312589792006e-19 3.856535256862848e-19 3.9824663392577287e-19 4.083099052810176e-19 4.1642653204199045e-19 4.2307396284168964e-19 4.2858865477048326e-19 4.3308596454506885e-19 4.365995378744832e-19 4.391678269976257e-19 4.4083889721312e-19 4.417104812948353e-19 4.419652273775425e-19 4.41856279367328e-19 4.415230266302016e-19 4.409478452233345e-19 4.40109906850656e-19 4.389915875693376e-19 4.376233287351745e-19 4.360596043532736e-19 4.343516840755009e-19 4.3254122449399685e-19 4.3066187131779843e-19 4.2855500906144645e-19 4.2576561956463363e-19 4.2146537751440644e-19 4.1452314621648002e-19 4.045287684559296e-19 3.9100319342313598e-19 3.7284252142636805e-19 3.497455432609152e-19 ] } }