{ "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" [ 8.13818 7.592891 7.254943 7.009406 6.816443 6.657464 6.522271 6.404665 6.300592 6.207257 6.12265 6.045276 5.973997 5.907921 5.846341 5.788683 5.734477 5.683334 5.634926 5.588974 5.545243 5.503526 5.463647 5.42545 5.399447 5.372079 5.343196 5.312621 5.280142 5.245506 5.208407 5.168467 5.125215 5.078051 5.026196 4.968615 4.903882 4.829966 4.743824 4.640595 4.511779 4.34036 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138180000000001e-10 7.592891e-10 7.254943e-10 7.009406e-10 6.816443e-10 6.657464e-10 6.522271e-10 6.404665e-10 6.300592e-10 6.207257000000001e-10 6.122650000000001e-10 6.045276e-10 5.973997e-10 5.907921e-10 5.846341e-10 5.788683e-10 5.734477e-10 5.683334000000001e-10 5.634926e-10 5.588974e-10 5.545243e-10 5.503526e-10 5.463647e-10 5.42545e-10 5.399447e-10 5.372079e-10 5.343196e-10 5.312621e-10 5.280142e-10 5.245506e-10 5.208407e-10 5.168467e-10 5.125215e-10 5.078051e-10 5.026195999999999e-10 4.968615e-10 4.903882e-10 4.829966e-10 4.743824e-10 4.6405950000000005e-10 4.511779e-10 4.3403600000000005e-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 0 0 0 0 0.0829939 1.01532 2.05896 2.75219 3.18297 3.48337 3.72248 3.92619 4.1002 4.24253 4.35365 4.4397 4.50575 4.55567 4.5924 4.61827 4.63511 4.64436 4.64722 4.64592 4.6418 4.63445 4.62341 4.60809 4.58777 4.56159 4.52839 4.48673 4.43471 4.36974 4.28827 4.18519 4.05287 3.87925 3.64383 3.30807 2.7874 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.3297088734453258e-20 1.6267219800328798e-19 3.2988176023406396e-19 4.40949451032846e-19 5.09968016072298e-19 5.580974021576579e-19 5.9640704765323195e-19 6.29044987864446e-19 6.5692446347268e-19 6.79728243504402e-19 6.9753163026141e-19 7.1131836019698e-19 7.2190073686455e-19 7.29898802621478e-19 7.357835973981599e-19 7.399284283503179e-19 7.42626493801974e-19 7.441085071884239e-19 7.445667297057479e-19 7.443584467433279e-19 7.436983499701199e-19 7.4252075014413e-19 7.407519471401939e-19 7.38297412536906e-19 7.350417896166179e-19 7.308472911888059e-19 7.255280647639259e-19 7.188533969066819e-19 7.10518874056614e-19 7.00109532465516e-19 6.870565994283179e-19 6.70541362685046e-19 6.49341361463958e-19 6.2152437074444995e-19 5.838059284268219e-19 5.300112457636379e-19 4.4659071496116e-19 ] } }