{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.25507 3.969964 3.793267 3.664887 3.563995 3.480872 3.410187 3.348696 3.294281 3.245481 3.201243 3.160788 3.12352 3.088972 3.056774 3.026628 2.998286 2.971546 2.946235 2.922209 2.899344 2.877532 2.856681 2.83671 2.823114 2.808805 2.793704 2.777717 2.760735 2.742626 2.723229 2.702346 2.679732 2.655072 2.62796 2.597853 2.564008 2.525361 2.480322 2.426348 2.358997 2.26937 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.25507e-10 3.969964e-10 3.793267e-10 3.664887e-10 3.563995e-10 3.480872e-10 3.4101870000000003e-10 3.348696e-10 3.294281e-10 3.245481e-10 3.201243e-10 3.1607880000000004e-10 3.1235200000000003e-10 3.0889720000000003e-10 3.056774e-10 3.0266280000000003e-10 2.998286e-10 2.971546e-10 2.9462350000000004e-10 2.9222090000000003e-10 2.899344e-10 2.877532e-10 2.856681e-10 2.83671e-10 2.823114e-10 2.808805e-10 2.793704e-10 2.777717e-10 2.760735e-10 2.742626e-10 2.723229e-10 2.702346e-10 2.679732e-10 2.6550720000000003e-10 2.62796e-10 2.5978530000000004e-10 2.564008e-10 2.5253610000000004e-10 2.480322e-10 2.426348e-10 2.358997e-10 2.26937e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.105715 0.48433 1.00707 1.55988 2.09538 2.59873 3.07188 3.29473 3.48078 3.64501 3.78914 3.91497 4.02418 4.11833 4.19884 4.26699 4.32396 4.37079 4.40844 4.43773 4.45943 4.47422 4.4827 4.48542 4.48413 4.47995 4.47232 4.46053 4.4451 4.42549 4.39957 4.36604 4.32324 4.26906 4.20077 4.11472 4.00595 3.86725 3.68734 3.44596 3.09987 2.58583 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.69374101467872e-20 7.75982202752064e-20 1.613504009509056e-19 2.4992032672535043e-19 3.3571688476919044e-19 4.163624449771585e-19 4.921694317903104e-19 5.278739377848384e-19 5.576824338148224e-19 5.839949804582208e-19 6.070871520938113e-19 6.272473405133376e-19 6.447447113890945e-19 6.598292042739265e-19 6.727283282479871e-19 6.836471619187393e-19 6.927747621274368e-19 7.002777552426433e-19 7.063099502199552e-19 7.110027255422784e-19 7.144794488094145e-19 7.168490680315776e-19 7.182077138060161e-19 7.186435058468737e-19 7.184368250627905e-19 7.17767115235296e-19 7.165446544736257e-19 7.146556882377025e-19 7.12183529711808e-19 7.090416613584192e-19 7.048888195573056e-19 6.995167213477632e-19 6.9265940541073925e-19 6.839788124792448e-19 6.730375483358017e-19 6.592508185138176e-19 6.418239434093761e-19 6.196017536788801e-19 5.907769940940672e-19 5.521036548211968e-19 4.966539241519297e-19 4.142956371363264e-19 ] } }