{ "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" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" ] } "a" { "source-value" [ 9.60659 8.962912 8.563987 8.274146 8.046366 7.858701 7.699115 7.560289 7.437438 7.327262 7.227389 7.136055 7.051914 6.973916 6.901224 6.833163 6.769177 6.708805 6.651662 6.59742 6.545797 6.496554 6.449479 6.40439 6.358807 6.311834 6.263383 6.213358 6.161653 6.108151 6.052724 5.995226 5.935499 5.873361 5.808609 5.741015 5.670318 5.596218 5.518371 5.436378 5.349773 5.258005 5.160421 5.056231 4.944478 4.823975 4.693236 4.550359 4.392857 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.606590000000002e-10 8.962912e-10 8.563987e-10 8.274146000000001e-10 8.046366000000001e-10 7.858701e-10 7.699115e-10 7.560289e-10 7.437438e-10 7.327262e-10 7.227389e-10 7.136055e-10 7.051914000000001e-10 6.973916e-10 6.901224e-10 6.833163e-10 6.769177000000001e-10 6.708805e-10 6.651662e-10 6.59742e-10 6.545797e-10 6.496554e-10 6.449479000000001e-10 6.40439e-10 6.358807e-10 6.311834e-10 6.263383e-10 6.213358000000001e-10 6.161653e-10 6.108151000000001e-10 6.052724000000001e-10 5.995226e-10 5.935499000000001e-10 5.873361000000001e-10 5.808609e-10 5.741015e-10 5.670318e-10 5.596218e-10 5.518371e-10 5.436378e-10 5.349773e-10 5.258005e-10 5.160421000000001e-10 5.056231e-10 4.944478e-10 4.823975e-10 4.693236e-10 4.5503590000000005e-10 4.392857e-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" [ 2.13264 3.19671 4.13189 4.98901 5.79018 6.54068 7.24867 7.91418 8.53932 9.12533 9.67352 10.185 10.6583 11.0932 11.4912 11.8514 12.1719 12.4519 12.6909 12.8879 13.0422 13.1529 13.2211 13.2441 13.2181 13.1312 12.9674 12.7074 12.3244 11.7848 11.0457 10.0509 8.72644 6.97517 4.66482 1.61696 -2.4111 -7.76536 -14.9322 -24.6084 -37.8293 -56.1508 -81.9927 -119.204 -174.139 -257.721 -389.633 -607.485 -988.259 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.4168659767337595e-19 5.12169406767414e-19 6.62001761225826e-19 7.99327524879234e-19 9.27689110265412e-19 1.0479324666471119e-18 1.161364970157678e-18 1.2679914273270119e-18 1.3681498974248879e-18 1.4620390503539218e-18 1.5498687712531679e-18 1.631816901729e-18 1.70764792181622e-18 1.7773265836288798e-18 1.8410932136620796e-18 1.89880361601876e-18 1.95015337713846e-18 1.99501432289046e-18 2.03330634444306e-18 2.06486922413286e-18 2.0895908095954796e-18 2.10732690493386e-18 2.11825374957774e-18 2.1219387558359396e-18 2.11777309658754e-18 2.1038501816380798e-18 2.0776065283731596e-18 2.0359499358891598e-18 1.97458657080696e-18 1.88813311963632e-18 1.76971624461738e-18 1.61033171306706e-18 1.398129826600296e-18 1.117545439217778e-18 7.473865605815879e-19 2.5906555301126397e-19 -3.8630080822373993e-19 -1.244147834659824e-18 -2.3924021934214797e-18 -3.9427003480125594e-18 -6.06092205405762e-18 -8.996349974040719e-18 -1.313667880985718e-17 -1.9098586347933597e-17 -2.79001436868126e-17 -4.1291456429111397e-17 -6.242608884353219e-17 -9.7329827250549e-17 -1.5833654781402058e-16 ] } }