{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.22484 5.807752 5.549258 5.361448 5.213852 5.092249 4.988841 4.898885 4.819281 4.747889 4.683174 4.623991 4.56947 4.518929 4.471827 4.427725 4.386263 4.347144 4.310117 4.274969 4.241519 4.20961 4.179106 4.14989 4.13 4.109067 4.086975 4.063588 4.038744 4.012252 3.983875 3.953325 3.920241 3.884166 3.844503 3.800459 3.750945 3.694407 3.628518 3.549559 3.451028 3.31991 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.22484e-10 5.807752e-10 5.549258000000001e-10 5.361448000000001e-10 5.213852e-10 5.092249e-10 4.988841e-10 4.898885e-10 4.819281e-10 4.747889e-10 4.683174e-10 4.6239910000000005e-10 4.56947e-10 4.518929e-10 4.4718270000000003e-10 4.427725e-10 4.3862629999999997e-10 4.3471440000000005e-10 4.310117e-10 4.2749689999999997e-10 4.2415190000000007e-10 4.2096099999999997e-10 4.179106e-10 4.14989e-10 4.13e-10 4.1090669999999996e-10 4.0869749999999997e-10 4.063588e-10 4.0387440000000003e-10 4.0122520000000004e-10 3.983875e-10 3.953325e-10 3.920241e-10 3.884166e-10 3.844503e-10 3.8004590000000003e-10 3.7509450000000003e-10 3.6944070000000004e-10 3.6285180000000005e-10 3.549559e-10 3.451028e-10 3.31991e-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" [ 1.43331 1.57034 2.05521 2.26763 2.48088 2.69587 2.84353 2.93129 3.02566 3.14703 3.27709 3.3965 3.49159 3.56366 3.62209 3.67196 3.71557 3.75278 3.7834 3.80897 3.83009 3.84657 3.85747 3.86123 3.85927 3.85285 3.84105 3.82297 3.79704 3.7603 3.70894 3.63865 3.54512 3.42223 3.25665 3.0206 2.66262 1.65804 -0.264675 -3.07751 -7.46474 -17.2634 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.296415772358848e-19 2.5159620347070724e-19 3.2928094128343686e-19 3.633143770624704e-19 3.974807935010304e-19 4.319259886716097e-19 4.555837286543424e-19 4.696444306784832e-19 4.847641714489728e-19 5.042097890956225e-19 5.250476982257472e-19 5.4417928925472e-19 5.594143867419072e-19 5.709612736480128e-19 5.803227916433472e-19 5.883128464512768e-19 5.952999386945856e-19 6.012616379005824e-19 6.06167502713472e-19 6.102642683328577e-19 6.136480653559873e-19 6.162884524270656e-19 6.180348249437376e-19 6.186372433531584e-19 6.183232167354816e-19 6.17294619344928e-19 6.154040509323841e-19 6.125073156019777e-19 6.0835287162424325e-19 6.02466474719424e-19 5.942376955949952e-19 5.82975996127392e-19 5.679908381930496e-19 5.4830168970003845e-19 5.21772849212832e-19 4.839534700788481e-19 4.265987514074496e-19 2.6564729243512322e-19 -4.2405609711024e-20 -4.930714572278209e-19 -1.1959831908350592e-18 -2.765901587551872e-18 ] } }