{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" [ 7.73865 7.220132 6.898775 6.665292 6.481803 6.330629 6.202073 6.090241 5.991278 5.902525 5.822071 5.748496 5.680716 5.617885 5.559327 5.5045 5.452956 5.404324 5.358292 5.314596 5.273012 5.233343 5.195422 5.1591 5.134373 5.108349 5.080884 5.05181 5.020925 4.98799 4.952712 4.914733 4.873604 4.828755 4.779447 4.724692 4.663137 4.59285 4.510937 4.412776 4.290284 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.73865e-10 7.220132000000001e-10 6.898775e-10 6.665292e-10 6.481803e-10 6.330629000000001e-10 6.202073e-10 6.090241e-10 5.991278000000001e-10 5.902525e-10 5.822071e-10 5.748496e-10 5.680716000000001e-10 5.617885e-10 5.559327e-10 5.5045e-10 5.452956e-10 5.404324e-10 5.358292e-10 5.314596e-10 5.273012e-10 5.233343e-10 5.195422e-10 5.159099999999999e-10 5.134373e-10 5.108349e-10 5.080884000000001e-10 5.05181e-10 5.020925e-10 4.98799e-10 4.952712000000001e-10 4.914733e-10 4.873604000000001e-10 4.828755e-10 4.779447000000001e-10 4.724692000000001e-10 4.663137e-10 4.5928500000000003e-10 4.5109370000000003e-10 4.412776e-10 4.2902839999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00866943 0.012995 0.0167966 0.0202809 0.0235377 0.0265885 0.0294666 0.0321719 0.0347132 0.0370954 0.0393238 0.0414029 0.0433269 0.0450951 0.0467127 0.048177 0.0494798 0.0506183 0.0515897 0.0523906 0.0530179 0.0534679 0.053745 0.0538386 0.0537915 0.0536329 0.053331 0.0528439 0.0521177 0.0510745 0.0496069 0.047565 0.0447317 0.0407845 0.0352289 0.0272794 0.0156121 -0.00211166 -0.0303997 -0.0788745 -0.171261 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3889958061662147e-21 2.0820285187296e-21 2.691111982892928e-21 3.2493583828782725e-21 3.771155264740417e-21 4.25994730821408e-21 4.721069761446528e-21 5.154506602671553e-21 5.561667747315456e-21 5.943338261922432e-21 6.300367300101504e-21 6.633475841332032e-21 6.941734623173953e-21 7.225031493263808e-21 7.484199583444417e-21 7.71880630602816e-21 7.927537876185984e-21 8.109945684464064e-21 8.265581121408577e-21 8.39389944696845e-21 8.494403986391233e-21 8.566501934327232e-21 8.6108982484896e-21 8.625894621660288e-21 8.618348369776321e-21 8.592937848570432e-21 8.544568136388481e-21 8.466526113189313e-21 8.350176046986817e-21 8.183036981904961e-21 7.947901541036353e-21 7.620753096835202e-21 7.166808394863936e-21 6.534397239101761e-21 5.6442919956501124e-21 4.370641690945152e-21 2.5013341621591683e-21 -3.3832522830785284e-22 -4.870568861933377e-21 -1.263708798772896e-20 -2.743903702548288e-20 ] } }