{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.77763 6.323504 6.042054 5.837567 5.676864 5.544463 5.431872 5.333928 5.247254 5.169523 5.09906 5.034623 4.97526 4.920231 4.868945 4.820927 4.775784 4.733191 4.692875 4.654606 4.618185 4.583443 4.550231 4.51842 4.486261 4.45312 4.418937 4.383643 4.347164 4.309417 4.270312 4.229747 4.187608 4.143768 4.098085 4.050396 4.000517 3.948238 3.893315 3.835468 3.774366 3.709622 3.640774 3.567267 3.488422 3.403405 3.311166 3.210363 3.099242 2.975448 2.835711 2.675312 2.487061 2.25921 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.777630000000001e-10 6.323504e-10 6.042054e-10 5.837567e-10 5.676864e-10 5.544463e-10 5.431872e-10 5.333928e-10 5.247254e-10 5.169523e-10 5.09906e-10 5.034623e-10 4.97526e-10 4.920231000000001e-10 4.868945e-10 4.820927000000001e-10 4.775784e-10 4.733191e-10 4.692875e-10 4.6546060000000005e-10 4.6181850000000005e-10 4.583443e-10 4.5502310000000005e-10 4.51842e-10 4.486261e-10 4.4531200000000005e-10 4.418937e-10 4.3836430000000005e-10 4.3471640000000007e-10 4.309417e-10 4.270312e-10 4.229747e-10 4.187608e-10 4.143768e-10 4.0980850000000004e-10 4.050396e-10 4.0005170000000005e-10 3.948238e-10 3.893315e-10 3.8354680000000005e-10 3.7743660000000004e-10 3.709622e-10 3.640774e-10 3.5672670000000005e-10 3.488422e-10 3.403405e-10 3.311166e-10 3.210363e-10 3.099242e-10 2.975448e-10 2.8357109999999997e-10 2.6753120000000003e-10 2.487061e-10 2.25921e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.372722 0.539875 0.67452 0.787695 0.884957 0.969659 1.04406 1.10975 1.16792 1.21951 1.26523 1.30568 1.34135 1.37264 1.39992 1.42349 1.4436 1.46048 1.47434 1.48536 1.49369 1.49949 1.50288 1.50399 1.5028 1.49894 1.49194 1.48122 1.46609 1.44575 1.41919 1.38522 1.34239 1.2889 1.22255 1.14061 1.03964 0.915302 0.762082 0.572861 0.338352 0.0463033 -0.319727 -0.782491 -1.37478 -2.1451 -3.16738 -4.55763 -6.50399 -9.32289 -13.5702 -20.278 -31.524 -51.9821 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.97166479377748e-20 8.649751102807499e-20 1.0807001831656799e-19 1.26202652371863e-19 1.417857427494738e-19 1.553564992747806e-19 1.67276853649404e-19 1.7780155195815e-19 1.8712141343812799e-19 1.95387042692934e-19 2.02712194263582e-19 2.0919299874811199e-19 2.1490796280158998e-19 2.19921173489376e-19 2.24291911346928e-19 2.2806824167326597e-19 2.3129021888424e-19 2.33994693042432e-19 2.36215309857156e-19 2.37980908507824e-19 2.39315521643946e-19 2.40244784091666e-19 2.40787921970592e-19 2.40965763576966e-19 2.4077510455751995e-19 2.40156664376796e-19 2.39035140732996e-19 2.37317607381348e-19 2.3489351413410596e-19 2.3163468686055e-19 2.2737930572064597e-19 2.2193671169494795e-19 2.1507458917152598e-19 2.0650454635625998e-19 1.9587410438967e-19 1.8274586905067398e-19 1.6656869157717597e-19 1.4664754774534678e-19 1.220989973591988e-19 9.178245087298739e-20 5.42099668467168e-20 7.41860653370922e-21 -5.1225912865891796e-20 -1.253688796515294e-19 -2.20264039289052e-19 -3.4368290975933995e-19 -5.07470222699892e-19 -7.302128292417419e-19 -1.0420540805769659e-18 -1.4936916519352258e-18 -2.17418573587068e-18 -3.2488937784251996e-18 -5.0507016210216e-18 -8.32845060062514e-18 ] } }