{ "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" [ 5.41218 5.049544 4.824797 4.661506 4.533179 4.427452 4.337544 4.259332 4.19012 4.128049 4.071782 4.020326 3.972923 3.92898 3.888027 3.849683 3.813634 3.779622 3.747429 3.716869 3.687786 3.660043 3.633522 3.60812 3.590827 3.572627 3.553419 3.533085 3.511485 3.488451 3.463779 3.437218 3.408454 3.377088 3.342603 3.30431 3.26126 3.212104 3.154817 3.086166 3.000499 2.8865 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41218e-10 5.049544000000001e-10 4.824797000000001e-10 4.661506000000001e-10 4.533179e-10 4.4274519999999997e-10 4.3375440000000003e-10 4.259332e-10 4.1901200000000005e-10 4.128049e-10 4.071782e-10 4.020326e-10 3.9729230000000004e-10 3.9289800000000004e-10 3.888027e-10 3.8496830000000004e-10 3.813634e-10 3.779622e-10 3.747429e-10 3.7168690000000003e-10 3.687786e-10 3.660043e-10 3.633522e-10 3.6081200000000004e-10 3.590827e-10 3.5726270000000005e-10 3.553419e-10 3.533085e-10 3.511485e-10 3.4884510000000003e-10 3.4637790000000005e-10 3.4372180000000003e-10 3.408454e-10 3.3770880000000005e-10 3.3426030000000004e-10 3.30431e-10 3.26126e-10 3.212104e-10 3.154817e-10 3.086166e-10 3.0004990000000003e-10 2.8865e-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" [ 0.0239385 0.147857 0.26034 0.404508 0.607952 0.853082 1.08838 1.28552 3.06126 3.29253 3.49648 3.6674 3.80375 3.90952 3.99137 4.05506 4.10468 4.14307 4.17242 4.1944 4.21033 4.2212 4.22755 4.22963 4.22862 4.22531 4.21915 4.20947 4.1954 4.17582 4.14944 4.11479 4.06991 4.01245 3.94441 3.87561 3.81626 3.77723 3.64866 3.08922 1.23125 -4.41192 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.835370503702081e-21 2.368930286216256e-20 4.1711066145907204e-20 6.480932605265664e-20 9.740464809686017e-20 1.3667880360253056e-19 1.743776990546304e-19 2.059630089570816e-19 4.904679202190208e-19 5.275214589282625e-19 5.601978511094784e-19 5.875822539121921e-19 6.094279321368e-19 6.263741542550016e-19 6.394879698962497e-19 6.496922327941249e-19 6.576422331865345e-19 6.637929892337856e-19 6.684953776158336e-19 6.72016961828352e-19 6.7456922918528645e-19 6.763107951720959e-19 6.77328177326304e-19 6.776614300634305e-19 6.774996102247297e-19 6.769692897632449e-19 6.75982348964832e-19 6.744314419958976e-19 6.721771794904321e-19 6.690401176669056e-19 6.648135757412353e-19 6.592620337501632e-19 6.520714650760128e-19 6.428653582128961e-19 6.319641484849729e-19 6.209411733338688e-19 6.114322550894209e-19 6.051789597384384e-19 5.845797749248129e-19 4.949476060507776e-19 1.97267996436e-19 -7.068675076839937e-19 ] } }