{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.58195 8.006928 7.650552 7.391626 7.188141 7.020493 6.877929 6.75391 6.644162 6.545738 6.456517 6.374924 6.299758 6.23008 6.165141 6.104339 6.047178 5.993246 5.942198 5.893741 5.847625 5.803633 5.76158 5.7213 5.693879 5.665019 5.634561 5.602318 5.568068 5.531544 5.492422 5.450304 5.404693 5.354957 5.300275 5.239553 5.171291 5.093344 5.002505 4.893647 4.757807 4.57704 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.581950000000002e-10 8.006928e-10 7.650552000000001e-10 7.391626e-10 7.188141e-10 7.020493000000001e-10 6.877929000000001e-10 6.753910000000001e-10 6.644162e-10 6.545738e-10 6.456517e-10 6.374924e-10 6.299758e-10 6.23008e-10 6.165141e-10 6.104339e-10 6.047178e-10 5.993246000000001e-10 5.942198000000001e-10 5.893741000000001e-10 5.847625e-10 5.803633e-10 5.761580000000001e-10 5.721300000000001e-10 5.693879e-10 5.665019e-10 5.634561e-10 5.602318000000001e-10 5.568068000000001e-10 5.531544000000001e-10 5.492422e-10 5.450304000000001e-10 5.404693e-10 5.354957e-10 5.300275e-10 5.239553e-10 5.171291000000001e-10 5.093344e-10 5.002505000000001e-10 4.893647e-10 4.757807e-10 4.57704e-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" [ 0.894946 1.40413 1.66718 1.87282 2.03102 2.15283 2.24977 2.32989 2.39819 2.45795 2.51143 2.55981 2.60289 2.64064 2.67323 2.70095 2.72414 2.74318 2.75842 2.77023 2.77893 2.78483 2.78824 2.78935 2.78881 2.78704 2.78377 2.7787 2.77196 2.7646 2.75904 2.75903 2.76846 2.78709 2.80583 2.80711 2.77053 2.6775 2.50699 2.22619 1.77297 1.05372 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.433861569891764e-19 2.24966427709842e-19 2.67111684067212e-19 3.0005884436878796e-19 3.2540527871866793e-19 3.4492139229742192e-19 3.6045289258741793e-19 3.732895317790259e-19 3.84232398189246e-19 3.9380700575402995e-19 4.0237544639266193e-19 4.10126776947954e-19 4.1702895388722594e-19 4.2307717068057593e-19 4.28298664330782e-19 4.3273989796023e-19 4.364553455744759e-19 4.39505889885612e-19 4.41947607075828e-19 4.43839777680582e-19 4.45233671352162e-19 4.461789555662219e-19 4.46725297798416e-19 4.4690313940479e-19 4.468166218665539e-19 4.46533036602336e-19 4.46009124843018e-19 4.4519682128958e-19 4.44116954238264e-19 4.4293775223564e-19 4.42046942027136e-19 4.420453398505019e-19 4.43556192416364e-19 4.46541047485506e-19 4.4954352649762195e-19 4.49748605106774e-19 4.438878429796019e-19 4.289827937535e-19 4.01664079967166e-19 3.5667496008444595e-19 2.8406111067829796e-19 1.68824556277848e-19 ] } }