{ "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" [ 6.10941 5.700057 5.446356 5.262029 5.117171 4.997823 4.896333 4.808045 4.729917 4.659849 4.596334 4.538249 4.484739 4.435135 4.388906 4.345622 4.30493 4.266536 4.230195 4.195699 4.162869 4.131552 4.101615 4.07294 4.053419 4.032874 4.011191 3.988238 3.963855 3.937854 3.910003 3.88002 3.84755 3.812143 3.773215 3.729988 3.681393 3.625903 3.561236 3.48374 3.387037 3.25835 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.10941e-10 5.700057000000001e-10 5.446356e-10 5.262029e-10 5.117171e-10 4.997823e-10 4.896333e-10 4.808045e-10 4.729917000000001e-10 4.659849000000001e-10 4.596334e-10 4.5382490000000005e-10 4.4847390000000006e-10 4.435135e-10 4.3889060000000006e-10 4.3456219999999997e-10 4.30493e-10 4.2665360000000003e-10 4.2301950000000005e-10 4.1956990000000005e-10 4.162869e-10 4.131552e-10 4.1016149999999997e-10 4.0729400000000003e-10 4.053419e-10 4.0328739999999996e-10 4.0111910000000003e-10 3.988238e-10 3.9638550000000003e-10 3.937854e-10 3.9100030000000004e-10 3.88002e-10 3.8475500000000003e-10 3.812143e-10 3.773215e-10 3.7299880000000004e-10 3.681393e-10 3.6259030000000003e-10 3.561236e-10 3.4837400000000004e-10 3.387037e-10 3.2583500000000004e-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" [ 0.884323 1.28185 1.60378 1.88018 2.12402 2.34232 2.53938 2.71808 2.88044 3.02799 3.1619 3.28307 3.39227 3.49011 3.5771 3.6537 3.72029 3.7772 3.82472 3.86313 3.89266 3.91352 3.92591 3.93 3.92799 3.9213 3.90876 3.88887 3.85963 3.81843 3.76177 3.68483 3.5809 3.44037 3.24912 2.98565 2.61583 2.08259 1.2841 0.0214752 -2.14466 -6.38782 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4168416475087818e-19 2.0537501182928997e-19 2.56953884207652e-19 3.0123804637141195e-19 3.4030552141486793e-19 3.7528103733508795e-19 4.0685353008469195e-19 4.35484426534272e-19 4.61497366363896e-19 4.851374825985659e-19 5.0659222990446e-19 5.260058041786379e-19 5.43501573021918e-19 5.591772692089739e-19 5.7311460374814e-19 5.8538727676458e-19 5.960561709703859e-19 6.051741581944799e-19 6.12787701559248e-19 6.18941662010442e-19 6.23672889610644e-19 6.27015030069168e-19 6.29000126918694e-19 6.29655417162e-19 6.29333379658566e-19 6.2826152349042e-19 6.262523939913839e-19 6.230656646663579e-19 6.18380900188542e-19 6.11779932456462e-19 6.02701999648218e-19 5.903748526262219e-19 5.7372343086906e-19 5.51208042631458e-19 5.20566414506208e-19 4.7835386673021e-19 4.1910217045162195e-19 3.33667703620206e-19 2.0573550157194e-19 3.4407063650476794e-21 -3.4361241398744397e-19 -1.0234415946197879e-18 ] } }