{ "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" [ 7.40509 6.908922 6.601417 6.377999 6.202419 6.05776 5.934746 5.827735 5.733037 5.64811 5.571124 5.500721 5.435862 5.375739 5.319706 5.267242 5.217919 5.171383 5.127336 5.085524 5.045731 5.007773 4.971486 4.93673 4.901593 4.865385 4.828037 4.789475 4.749619 4.708378 4.665652 4.621331 4.575291 4.527392 4.47748 4.425376 4.370879 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.405090000000001e-10 6.908922e-10 6.601417e-10 6.377999e-10 6.202419e-10 6.05776e-10 5.934745999999999e-10 5.827735e-10 5.733037e-10 5.64811e-10 5.571124e-10 5.500721000000001e-10 5.435862e-10 5.375739e-10 5.319706000000001e-10 5.267242e-10 5.217919e-10 5.171383e-10 5.127336e-10 5.085524e-10 5.045731e-10 5.007773000000001e-10 4.971486e-10 4.93673e-10 4.901593000000001e-10 4.865385e-10 4.828037000000001e-10 4.789475e-10 4.749619000000001e-10 4.708378e-10 4.665652e-10 4.621331e-10 4.575291e-10 4.527392e-10 4.47748e-10 4.425376e-10 4.3708790000000004e-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" [ 1.58818 2.38059 3.07702 3.71532 4.31194 4.87084 5.39808 5.89368 6.35922 6.79563 7.20386 7.58473 7.9372 8.26112 8.55745 8.82572 9.06438 9.27295 9.45089 9.59763 9.71254 9.79498 9.84575 9.86289 9.84355 9.77885 9.65685 9.46324 9.17798 8.7762 8.2258 7.48495 6.49863 5.19445 3.47398 1.20425 -1.79549 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5445448865861195e-19 3.81412567313406e-19 4.92992954635068e-19 5.95259889183288e-19 6.908489515209959e-19 7.80394603595256e-19 8.64867764446272e-19 9.442716384273119e-19 1.0188593694465479e-18 1.0887799599309419e-18 1.1541856166607238e-18 1.215207718119882e-18 1.2716796379384799e-18 1.323577343467008e-18 1.3710546436623299e-18 1.414036236222648e-18 1.452273783769692e-18 1.4856903818250298e-18 1.5141995128504258e-18 1.537709852777742e-18 1.556120464479036e-18 1.569328808649732e-18 1.57746305942055e-18 1.5802091901712259e-18 1.57711058056107e-18 1.56674449773909e-18 1.54719794280429e-18 1.516178200993416e-18 1.470474510331932e-18 1.4061022575310798e-18 1.3179184555957199e-18 1.19922119966583e-18 1.041195313901142e-18 8.322426416481299e-19 5.56592958298332e-19 1.9294212114945e-19 -2.87669212458066e-19 ] } }