{ "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" [ 4.29975 4.011651 3.833099 3.703371 3.60142 3.517425 3.445997 3.383861 3.328875 3.279562 3.23486 3.193981 3.156321 3.12141 3.088874 3.058411 3.029772 3.002751 2.977175 2.952897 2.929792 2.907751 2.886681 2.8665 2.852761 2.838302 2.823042 2.806888 2.789727 2.771428 2.751827 2.730725 2.707873 2.682954 2.655557 2.625134 2.590933 2.55188 2.506368 2.451827 2.383768 2.2932 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2997500000000006e-10 4.0116509999999996e-10 3.833099e-10 3.7033710000000004e-10 3.6014200000000003e-10 3.517425e-10 3.4459970000000004e-10 3.383861e-10 3.328875e-10 3.279562e-10 3.23486e-10 3.193981e-10 3.156321e-10 3.1214100000000003e-10 3.088874e-10 3.058411e-10 3.029772e-10 3.002751e-10 2.977175e-10 2.9528970000000003e-10 2.929792e-10 2.9077510000000004e-10 2.886681e-10 2.8665e-10 2.852761e-10 2.838302e-10 2.823042e-10 2.8068879999999997e-10 2.789727e-10 2.771428e-10 2.751827e-10 2.7307250000000004e-10 2.707873e-10 2.6829540000000003e-10 2.655557e-10 2.625134e-10 2.590933e-10 2.55188e-10 2.5063680000000004e-10 2.451827e-10 2.383768e-10 2.2932000000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0411366 0.141712 0.255791 0.437678 0.661499 0.868091 2.61115 2.84275 3.06792 3.27122 3.44785 3.60103 3.736 3.85421 3.95628 4.04308 4.11568 4.17512 4.22241 4.25882 4.28548 4.30329 4.31306 4.316 4.31468 4.31045 4.30282 4.29123 4.27499 4.25328 4.22546 4.19256 4.15705 4.12327 4.09919 4.0904 4.04601 3.87293 3.39815 2.26556 -0.305315 -6.24654 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.590809877920129e-21 2.270476532868096e-20 4.098223600110528e-20 7.012374590385025e-20 1.0598382324825791e-19 1.3908351049268927e-19 4.18352348340192e-19 4.554587588779201e-19 4.915349698484737e-19 5.241072205493377e-19 5.52406466202528e-19 5.769486076799425e-19 5.9857318553088e-19 6.175125153653569e-19 6.338659321338624e-19 6.477728252024064e-19 6.594046274694145e-19 6.689279653034496e-19 6.765046585432129e-19 6.823381836195456e-19 6.866095864905984e-19 6.894630630522432e-19 6.910283896107649e-19 6.9149942953728e-19 6.912879422233345e-19 6.906102215127361e-19 6.8938776075106555e-19 6.875308380475583e-19 6.849289032153792e-19 6.814505777716225e-19 6.769933224125568e-19 6.717221613301249e-19 6.66032832149664e-19 6.606206795246016e-19 6.567626382217152e-19 6.55354324972032e-19 6.482422629523008e-19 6.205117899994945e-19 5.44443648397152e-19 3.629827265019648e-19 -4.89168554979552e-20 -1.0008060348892034e-18 ] } }