{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 6.02364 5.620034 5.369895 5.188156 5.045331 4.927659 4.827593 4.740545 4.663514 4.59443 4.531806 4.474537 4.421778 4.372871 4.327291 4.284614 4.244493 4.206638 4.170808 4.136796 4.104427 4.073549 4.044032 4.01576 3.996513 3.976256 3.954878 3.932247 3.908207 3.882571 3.855111 3.825549 3.793535 3.758626 3.720245 3.677625 3.629711 3.575001 3.511242 3.434835 3.339489 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02364e-10 5.620034000000001e-10 5.369895e-10 5.188156e-10 5.045331e-10 4.927659000000001e-10 4.827593000000001e-10 4.740545e-10 4.663514000000001e-10 4.5944300000000004e-10 4.5318059999999996e-10 4.474537e-10 4.421778e-10 4.372871e-10 4.327291e-10 4.2846140000000007e-10 4.2444930000000005e-10 4.206638e-10 4.170808e-10 4.1367960000000004e-10 4.1044270000000007e-10 4.073549e-10 4.0440319999999995e-10 4.0157600000000004e-10 3.996513e-10 3.976256e-10 3.954878e-10 3.932247e-10 3.908207e-10 3.882571e-10 3.855111e-10 3.825549e-10 3.793535e-10 3.7586260000000004e-10 3.720245e-10 3.677625e-10 3.6297110000000003e-10 3.575001e-10 3.511242e-10 3.434835e-10 3.339489e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.6518 3.96233 5.12202 6.1833 7.16931 8.09174 8.96123 9.77946 10.5481 11.2706 11.9461 12.5748 13.1571 13.6935 14.1823 14.6231 15.0151 15.3587 15.6518 15.8934 16.0825 16.2188 16.3029 16.3311 16.3169 16.269 16.1778 16.0307 15.8105 15.4941 15.0493 14.4309 13.5736 12.3817 10.704 8.30197 4.77736 -0.579876 -9.12791 -23.774 -51.702 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2486519630374403e-19 6.348352489894465e-19 8.206380695270016e-19 9.90673869939264e-19 1.1486500869267649e-18 1.2964396649592191e-18 1.4357473199611586e-18 1.5668422176048769e-18 1.6899919213860481e-18 1.805749182238848e-18 1.9139762129738882e-18 2.014705057123584e-18 2.1079998017527682e-18 2.19394055569248e-18 2.272254948917184e-18 2.3428788943620484e-18 2.405684217897408e-18 2.460735006588096e-18 2.507694803343744e-18 2.5464033905022722e-18 2.5767005504016002e-18 2.5985382177431042e-18 2.6120125231240324e-18 2.616530661194688e-18 2.614255570393152e-18 2.60658114437952e-18 2.5919692935978244e-18 2.568401275505856e-18 2.53312134631584e-18 2.482428478033728e-18 2.411163661940544e-18 2.312085059710272e-18 2.1747304580090883e-18 1.9837670265759363e-18 1.7149698549043202e-18 1.3301222240582978e-18 7.654174501145089e-19 -9.290637701630207e-20 -1.4624523998766528e-18 -3.80901469828992e-18 -8.28357356486016e-18 ] } }