{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.38915 3.162064 3.021325 2.91907 2.838711 2.772504 2.716203 2.667225 2.623884 2.585015 2.54978 2.517558 2.487873 2.460356 2.434711 2.410699 2.388125 2.366826 2.346666 2.32753 2.309318 2.291945 2.275337 2.25943 2.243349 2.226777 2.209684 2.192035 2.173794 2.154919 2.135365 2.11508 2.094008 2.072087 2.049243 2.025396 2.000454 1.974312 1.946849 1.917922 1.887369 1.854994 1.820566 1.783809 1.744383 1.701871 1.655747 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.38915e-10 3.1620640000000003e-10 3.021325e-10 2.91907e-10 2.838711e-10 2.772504e-10 2.7162030000000003e-10 2.667225e-10 2.623884e-10 2.585015e-10 2.54978e-10 2.517558e-10 2.487873e-10 2.460356e-10 2.4347110000000003e-10 2.4106990000000005e-10 2.388125e-10 2.366826e-10 2.346666e-10 2.32753e-10 2.3093180000000003e-10 2.2919450000000002e-10 2.275337e-10 2.2594300000000002e-10 2.243349e-10 2.226777e-10 2.2096840000000002e-10 2.1920350000000003e-10 2.1737940000000002e-10 2.154919e-10 2.1353650000000002e-10 2.1150799999999998e-10 2.0940080000000002e-10 2.0720869999999997e-10 2.0492430000000003e-10 2.0253960000000003e-10 2.000454e-10 1.974312e-10 1.946849e-10 1.917922e-10 1.887369e-10 1.8549940000000002e-10 1.820566e-10 1.783809e-10 1.744383e-10 1.701871e-10 1.655747e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.977966 1.27422 1.47051 1.72283 2.00215 2.25353 2.46194 2.63 2.76669 2.88162 2.9801 3.06493 3.13951 3.20784 3.27366 3.33938 3.40523 3.46884 3.52711 3.5778 3.61923 3.6497 3.66819 3.67439 3.66748 3.64462 3.60226 3.53621 3.44209 3.31562 3.15203 2.94717 2.69672 2.39379 2.0285 1.58813 1.03891 0.206751 -0.782728 -1.97095 -3.39617 -5.09313 -7.1356 -9.6482 -12.7892 -16.7286 -21.7822 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5668742740464438e-19 2.0415255105754798e-19 2.3560167620633397e-19 2.76027797035422e-19 3.2077979477631e-19 3.6105531100180196e-19 3.944462742309959e-19 4.2137245474199997e-19 4.43272607152146e-19 4.616864232067079e-19 4.7746465869834e-19 4.91055923084562e-19 5.03004956420934e-19 5.13952629361056e-19 5.244981559660439e-19 5.350276608046919e-19 5.455779939395819e-19 5.55769439508456e-19 5.651053227547739e-19 5.732267561125199e-19 5.798645739071819e-19 5.8474640611098e-19 5.87708830707246e-19 5.88702180220326e-19 5.87595076166232e-19 5.83932500380908e-19 5.77145680159284e-19 5.66563303491714e-19 5.514836170125059e-19 5.312208891223079e-19 5.05010881566702e-19 4.72188691042578e-19 4.32062177244048e-19 3.83527440470286e-19 3.250015302069e-19 2.54446477775442e-19 1.66451732682894e-19 3.3125162125613394e-20 -1.254068512377552e-19 -3.1578100367822996e-19 -5.44126421909178e-19 -8.16009387992442e-19 -1.1432491589570399e-18 -1.5458120600158798e-18 -2.04905574075528e-18 -2.6802172039532397e-18 -3.48989318771148e-18 ] } }