{ "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" [ 10.207 9.523092 9.099233 8.791277 8.549261 8.349867 8.180307 8.032804 7.902275 7.785212 7.679097 7.582054 7.492655 7.409782 7.332547 7.260231 7.192246 7.128102 7.067387 7.009754 6.954906 6.902584 6.852567 6.80466 6.756228 6.706319 6.65484 6.601688 6.546751 6.489906 6.431014 6.369923 6.306462 6.240441 6.171642 6.099824 6.024708 5.945976 5.863264 5.776146 5.684128 5.586625 5.482941 5.37224 5.253502 5.125467 4.986557 4.83475 4.667404 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0207000000000002e-09 9.523092e-10 9.099233e-10 8.791276999999999e-10 8.549261e-10 8.349867e-10 8.180307000000001e-10 8.032804000000001e-10 7.902275000000001e-10 7.785212e-10 7.679097e-10 7.582054000000001e-10 7.492655000000001e-10 7.409782e-10 7.332547e-10 7.260231e-10 7.192246e-10 7.128102e-10 7.067387000000001e-10 7.009754000000001e-10 6.954906e-10 6.902584000000001e-10 6.852567e-10 6.80466e-10 6.756228000000001e-10 6.706319e-10 6.65484e-10 6.601688e-10 6.546751e-10 6.489906e-10 6.431014e-10 6.369923e-10 6.306462e-10 6.240441e-10 6.171642000000001e-10 6.099824e-10 6.024708e-10 5.945976000000001e-10 5.863264000000001e-10 5.776146e-10 5.684128000000001e-10 5.586625e-10 5.482941e-10 5.37224e-10 5.253502e-10 5.125467e-10 4.986557000000001e-10 4.83475e-10 4.667404e-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" [ 1.37713 2.06424 2.66812 3.2216 3.73894 4.22357 4.68075 5.1105 5.51418 5.89259 6.24658 6.57684 6.88247 7.16334 7.4203 7.65292 7.85987 8.04072 8.19502 8.32225 8.42189 8.49338 8.5374 8.55226 8.53549 8.47938 8.37358 8.2057 7.95834 7.60994 7.13267 6.49026 5.63499 4.50413 3.01224 1.04412 -1.55698 -5.01449 -9.64242 -15.8908 -24.4281 -36.2591 -52.9465 -76.9756 -112.449 -166.422 -251.604 -392.282 -638.166 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.20640550798042e-19 3.3072770949681594e-19 4.27479952070808e-19 5.161572244094399e-19 5.99044230392796e-19 6.766905166063379e-19 7.499388279595499e-19 8.187923688057e-19 8.834690351670119e-19 9.44097001174206e-19 1.0008124518411718e-18 1.053725937355656e-18 1.102693261820598e-18 1.1476935969397559e-18 1.18886312772702e-18 1.226132960587128e-18 1.259290006027758e-18 1.288265370453648e-18 1.3129869559162679e-18 1.33337144923065e-18 1.3493355372118258e-18 1.3607894979682919e-18 1.3678422795111599e-18 1.370223113989284e-18 1.3675362637740658e-18 1.358546450680692e-18 1.341595421892972e-18 1.31469808056138e-18 1.2750666393427558e-18 1.219246805414196e-18 1.1427797212032779e-18 1.0398542920584839e-18 9.02824931082366e-19 7.216411842498419e-19 4.826140544000159e-19 1.6728646670920798e-19 -2.49455697560532e-19 -8.03409870942666e-19 -1.5448860019214278e-18 -2.54598684555672e-18 -3.91381310330154e-18 -5.809348278986939e-18 -8.4829645152081e-18 -1.2332850770813039e-17 -1.80163160316666e-17 -2.6663743978354798e-17 -4.03114049820936e-17 -6.28505054338788e-17 -1.022454653813244e-16 ] } }