{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.40651 5.044254 4.819742 4.656622 4.52843 4.422814 4.333 4.25487 4.18573 4.123724 4.067516 4.016114 3.968761 3.924864 3.883954 3.845649 3.809639 3.775662 3.743503 3.712976 3.683923 3.656209 3.629716 3.60434 3.587065 3.568883 3.549696 3.529383 3.507806 3.484796 3.460149 3.433616 3.404881 3.373548 3.339099 3.300845 3.257841 3.208735 3.151508 3.082929 2.997351 2.88347 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.40651e-10 5.044254e-10 4.819742e-10 4.656622e-10 4.5284300000000004e-10 4.422814e-10 4.3330000000000004e-10 4.2548700000000007e-10 4.1857300000000006e-10 4.1237240000000003e-10 4.0675160000000006e-10 4.016114e-10 3.9687610000000003e-10 3.924864e-10 3.883954e-10 3.845649e-10 3.8096390000000005e-10 3.775662e-10 3.743503e-10 3.712976e-10 3.683923e-10 3.656209e-10 3.6297160000000003e-10 3.60434e-10 3.587065e-10 3.568883e-10 3.549696e-10 3.5293830000000005e-10 3.507806e-10 3.484796e-10 3.460149e-10 3.433616e-10 3.404881e-10 3.373548e-10 3.339099e-10 3.300845e-10 3.257841e-10 3.208735e-10 3.1515080000000004e-10 3.082929e-10 2.9973510000000003e-10 2.88347e-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" [ 1.19093 1.71445 2.10107 2.41472 2.67743 2.90166 3.09534 3.2639 3.41129 3.54049 3.6538 3.75307 3.84223 3.92425 3.9947 4.05378 4.10292 4.1435 4.17652 4.20264 4.22231 4.23593 4.24387 4.24645 4.24521 4.24112 4.23357 4.22175 4.20465 4.18096 4.14895 4.10633 4.04995 3.97547 3.87667 3.74439 3.56461 3.31479 2.95654 2.41867 1.55345 -0.00326902 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.90808021872962e-19 2.7468517301612997e-19 3.36628526039838e-19 3.8688079616524797e-19 4.28971578517062e-19 4.64897185181244e-19 4.95928142228556e-19 5.2293443157126e-19 5.46548912979786e-19 5.67249035091066e-19 5.854032985309199e-19 6.01308105976638e-19 6.155931128453819e-19 6.2873416559745e-19 6.4002149998398e-19 6.494871595376519e-19 6.573602555171279e-19 6.638618882979e-19 6.69152275543368e-19 6.733371609113759e-19 6.76488642350454e-19 6.786708069259619e-19 6.79942935173358e-19 6.8035629674493e-19 6.80157626842314e-19 6.795023365990079e-19 6.78292693240338e-19 6.763989204589499e-19 6.7365919841481e-19 6.698636419688639e-19 6.6473507456343e-19 6.579065977493219e-19 6.4887352588683e-19 6.36940514316798e-19 6.211110091728779e-19 5.999174166583259e-19 5.711134851322739e-19 5.310879084616859e-19 4.736899305486359e-19 3.87513655935678e-19 2.4889012920873e-19 -5.23754746007868e-22 ] } }