{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.13542 8.523313 8.143954 7.868329 7.651721 7.473261 7.321502 7.189485 7.07266 6.967888 6.872913 6.786058 6.706044 6.631872 6.562746 6.498022 6.437175 6.379765 6.325424 6.273842 6.224752 6.177923 6.133157 6.09028 6.046933 6.002264 5.956189 5.908617 5.859448 5.80857 5.755861 5.701184 5.644385 5.585295 5.523719 5.45944 5.39221 5.321744 5.247715 5.169744 5.087386 5.000119 4.907321 4.808241 4.701968 4.587376 4.463049 4.327179 4.177401 4.010541 3.822193 3.605995 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.13542e-10 8.523313e-10 8.143954000000001e-10 7.868329000000001e-10 7.651721e-10 7.473261e-10 7.321502e-10 7.189485e-10 7.07266e-10 6.967888000000001e-10 6.872913e-10 6.786058e-10 6.706044000000001e-10 6.631872000000001e-10 6.562746e-10 6.498021999999999e-10 6.437175000000001e-10 6.379765e-10 6.325424e-10 6.273842000000001e-10 6.224752e-10 6.177923e-10 6.133157e-10 6.09028e-10 6.046933e-10 6.002264000000001e-10 5.956189e-10 5.908617e-10 5.859448e-10 5.80857e-10 5.755861000000001e-10 5.701184e-10 5.644385e-10 5.585295000000001e-10 5.523719e-10 5.45944e-10 5.39221e-10 5.321744e-10 5.247715000000001e-10 5.169744e-10 5.087386e-10 5.000119e-10 4.907321e-10 4.808241e-10 4.701968e-10 4.587376e-10 4.463049e-10 4.3271790000000003e-10 4.177401e-10 4.010541e-10 3.8221930000000003e-10 3.605995e-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" [ 2.87233 3.46707 3.85512 4.14201 4.35037 4.50677 4.63425 4.74542 4.84466 4.93272 5.00956 5.07534 5.13074 5.17675 5.21458 5.24541 5.2703 5.29018 5.30579 5.31775 5.32652 5.33249 5.33593 5.33706 5.33581 5.33154 5.32307 5.30841 5.28504 5.25048 5.20302 5.14086 5.05714 4.93953 4.77089 4.52512 4.1621 3.62068 2.87782 1.98368 0.903148 -0.411753 -2.02568 -4.03639 -6.60181 -9.96041 -14.4883 -20.8535 -30.4037 -46.1658 -75.4769 -138.683 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.601980011137219e-19 5.55485854244238e-19 6.17658318526608e-19 6.636231639794339e-19 6.97006116325458e-19 7.22064158881218e-19 7.424887066114499e-19 7.60300104251628e-19 7.762001051674439e-19 7.90308872606448e-19 8.026199978621039e-19 8.131591157605559e-19 8.22035174312916e-19 8.294067890059499e-19 8.354678232123719e-19 8.404073337749939e-19 8.443951514170199e-19 8.47580278565412e-19 8.50081276291086e-19 8.519974795453499e-19 8.53402588453368e-19 8.543590879038659e-19 8.54910236665962e-19 8.55091282625604e-19 8.54891010546354e-19 8.54206881123636e-19 8.52849837514638e-19 8.50501046569194e-19 8.46756759775536e-19 8.412196373284319e-19 8.33615707023468e-19 8.23656577066524e-19 8.10243154286676e-19 7.91399954894202e-19 7.643808481384259e-19 7.25004153004608e-19 6.668419368371399e-19 5.80096889519112e-19 4.61077596085788e-19 3.17820574533312e-19 1.447002622643832e-19 -6.59701035579402e-20 -3.24549716396112e-19 -6.46700974371126e-19 -1.057726572410754e-18 -1.5958336167059938e-18 -2.32128157263822e-18 -3.3410990437118998e-18 -4.87120977271458e-18 -7.396576604991719e-18 -1.209273255867546e-17 -2.2219466213302198e-17 ] } }