{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.40613 4.110903 3.927933 3.794996 3.690523 3.604449 3.531254 3.467581 3.411234 3.360701 3.314894 3.273003 3.234411 3.198637 3.165296 3.134079 3.104732 3.077042 3.050833 3.025954 3.002277 2.979691 2.9581 2.93742 2.916513 2.894969 2.872746 2.849802 2.826087 2.801548 2.776125 2.749754 2.722359 2.693859 2.66416 2.633158 2.600732 2.566745 2.53104 2.493434 2.453711 2.411622 2.366864 2.319076 2.26782 2.21255 2.152586 2.087054 2.014814 1.934335 1.843493 1.739218 1.616836 1.46871 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.40613e-10 4.1109030000000007e-10 3.927933e-10 3.794996e-10 3.6905230000000004e-10 3.604449e-10 3.5312540000000003e-10 3.467581e-10 3.411234e-10 3.3607010000000004e-10 3.3148939999999997e-10 3.2730030000000004e-10 3.234411e-10 3.198637e-10 3.165296e-10 3.134079e-10 3.104732e-10 3.0770420000000003e-10 3.050833e-10 3.025954e-10 3.002277e-10 2.979691e-10 2.9581e-10 2.9374200000000003e-10 2.916513e-10 2.8949690000000003e-10 2.872746e-10 2.849802e-10 2.8260869999999997e-10 2.801548e-10 2.776125e-10 2.749754e-10 2.722359e-10 2.6938589999999997e-10 2.66416e-10 2.633158e-10 2.600732e-10 2.566745e-10 2.53104e-10 2.4934340000000004e-10 2.4537110000000004e-10 2.411622e-10 2.3668640000000003e-10 2.319076e-10 2.26782e-10 2.2125499999999998e-10 2.152586e-10 2.0870540000000003e-10 2.014814e-10 1.934335e-10 1.8434930000000002e-10 1.739218e-10 1.616836e-10 1.4687100000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 1.88588 2.05205 2.19952 2.33151 2.45031 2.55765 2.65488 2.74307 2.82309 2.79886 2.85289 2.89989 2.94032 2.97458 3.00302 3.02594 3.04364 3.05635 3.06431 3.19702 3.13067 3.05114 2.95629 2.84363 2.71012 2.55217 2.36543 2.14467 1.88346 1.57394 1.20639 0.768705 0.245652 -0.382092 -2.38618 -3.47345 -4.79882 -6.42788 -8.44981 -10.9874 -14.2137 -19.0002 -24.6513 -32.2503 -42.7381 -57.6839 -81.309 -121.315 -184.567 -315.274 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 3.02151287052792e-19 3.2877465617996995e-19 3.52401955001568e-19 3.73549084393734e-19 3.9258294280565397e-19 4.0978070679501e-19 4.2535867020739195e-19 4.39488265942638e-19 4.52308883367906e-19 4.48426809383724e-19 4.57083369737226e-19 4.64613599917026e-19 4.710912000482879e-19 4.76580257196372e-19 4.81136847543468e-19 4.848090363885959e-19 4.876448890307759e-19 4.8968125553259e-19 4.909565881332539e-19 5.12219074243068e-19 5.01588632276478e-19 4.88846521506276e-19 4.73649876132786e-19 4.55599754174142e-19 4.34209093933608e-19 4.0890271399957797e-19 3.7898366753626196e-19 3.43614016164078e-19 3.01763560307364e-19 2.52172989131796e-19 1.93284986949126e-19 1.2316011894389698e-19 3.9357789449536797e-20 -6.12178874438328e-20 -3.8230818405181197e-19 -5.5650804293673e-19 -7.688557274771879e-19 -1.029859914215592e-18 -1.3538088143739538e-18 -1.7603755548411598e-18 -2.27728580226858e-18 -3.04416764813268e-18 -3.94957368577242e-18 -5.16706770994902e-18 -6.84739852015554e-18 -9.241979673799259e-18 -1.3027137993390599e-17 -1.9436805835370998e-17 -2.95708934807478e-17 -5.05124636107716e-17 ] } }