{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 9.95678 9.289638 8.87617 8.575764 8.339681 8.145175 7.979772 7.835885 7.708556 7.594364 7.490849 7.396186 7.308978 7.228137 7.152795 7.082253 7.015934 6.953362 6.894136 6.837916 6.784412 6.733373 6.684582 6.63785 6.590606 6.54192 6.491703 6.439854 6.386264 6.330812 6.273364 6.213771 6.151866 6.087463 6.020351 5.950293 5.877018 5.800217 5.719532 5.634551 5.544789 5.449676 5.348534 5.240547 5.124719 4.999824 4.864319 4.716233 4.55299 4.371128 4.165846 3.93021 3.653657 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.95678e-10 9.289638e-10 8.876170000000001e-10 8.575763999999999e-10 8.339681000000001e-10 8.145175e-10 7.979772e-10 7.835885e-10 7.708556e-10 7.594364e-10 7.490849e-10 7.396186e-10 7.308978000000001e-10 7.228137e-10 7.152795000000001e-10 7.082253e-10 7.015934e-10 6.953362e-10 6.894136e-10 6.837916e-10 6.784412e-10 6.733373e-10 6.684582e-10 6.63785e-10 6.590606000000001e-10 6.54192e-10 6.491703e-10 6.439854e-10 6.386264e-10 6.330812e-10 6.273364e-10 6.213771000000001e-10 6.151866000000001e-10 6.087463e-10 6.020351e-10 5.950293e-10 5.877018e-10 5.800217000000001e-10 5.719532000000001e-10 5.634551e-10 5.544789e-10 5.449676e-10 5.348534e-10 5.240547e-10 5.124719e-10 4.999824e-10 4.864319e-10 4.716233e-10 4.5529900000000006e-10 4.3711279999999997e-10 4.1658460000000004e-10 3.93021e-10 3.6536570000000003e-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" [ 0.538111 0.611007 0.670816 0.707221 0.73129 0.750841 0.767852 0.78143 0.797198 0.833859 0.881539 0.932565 0.983111 1.03177 1.07836 1.12324 1.16688 1.20972 1.25105 1.28955 1.3253 1.35428 1.37233 1.37816 1.37363 1.35684 1.32253 1.26897 1.19276 1.05632 0.793283 0.307551 -0.532741 -1.90098 -4.01519 -7.13854 -11.5398 -4.15648 -2.19489 -2.40095 -2.63225 -2.89936 -3.21587 -3.59379 -4.04382 -4.573 -5.18398 -5.92536 -6.91008 -8.30244 -10.3426 -13.4567 -18.6157 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.621488706983739e-20 9.789411386104379e-20 1.0747657209133439e-19 1.1330929612741138e-19 1.17165575067786e-19 1.2029799060491938e-19 1.2302345327701678e-19 1.25198888710662e-19 1.277252008271532e-19 1.335989405850606e-19 1.4123811877597257e-19 1.4941338526862098e-19 1.575117472828374e-19 1.65307778566218e-19 1.7277231950402398e-19 1.79962888237416e-19 1.8695478706819196e-19 1.9381851176824798e-19 2.0044030779656998e-19 2.0660868783746998e-19 2.1233646930401997e-19 2.16979577189352e-19 2.19871506013722e-19 2.20805574991344e-19 2.2007978897614197e-19 2.17389734407656e-19 2.11892666376402e-19 2.0331140832469797e-19 1.91101220196984e-19 1.6924112220268797e-19 1.270979486749422e-19 4.92751025963334e-20 -8.53545182173794e-20 -3.04570573770132e-19 -6.433043599070459e-19 -1.143720198887436e-18 -1.8488797921033197e-18 -6.65941513568832e-19 -3.51660147220026e-19 -3.8467459894022996e-19 -4.2173294448465e-19 -4.64528684555424e-19 -5.15239177198158e-19 -5.75788636550286e-19 -6.47891391610188e-19 -7.326753747282e-19 -8.305651627123319e-19 -9.49347334003824e-19 -1.107116871507072e-18 -1.3301975373186961e-18 -1.6570672054808398e-18 -2.1560010310747797e-18 -2.9825639565553797e-18 ] } }