{ "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" [ 13.666 12.750324 12.182825 11.770506 11.446474 11.179508 10.952486 10.754996 10.580232 10.423499 10.281422 10.151493 10.031797 9.92084 9.817431 9.720609 9.629584 9.543702 9.462412 9.385248 9.311812 9.241759 9.174792 9.11065 9.066984 9.021027 8.972526 8.921182 8.866642 8.80848 8.746182 8.679113 8.606482 8.527282 8.440206 8.343512 8.23481 8.110688 7.966035 7.792688 7.576375 7.28852 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3666e-09 1.2750324e-09 1.2182825e-09 1.1770506e-09 1.1446474e-09 1.1179508e-09 1.0952486e-09 1.0754996000000001e-09 1.0580232e-09 1.0423499e-09 1.0281422e-09 1.0151493000000001e-09 1.0031797e-09 9.92084e-10 9.817431e-10 9.720609e-10 9.629584e-10 9.543702e-10 9.462412e-10 9.385248e-10 9.311812000000001e-10 9.241759e-10 9.174792000000001e-10 9.11065e-10 9.066984e-10 9.021027e-10 8.972526000000001e-10 8.921182000000001e-10 8.866642000000001e-10 8.80848e-10 8.746182e-10 8.679113e-10 8.606482e-10 8.527282e-10 8.440206e-10 8.343512000000001e-10 8.234809999999999e-10 8.110688e-10 7.966035e-10 7.792688000000001e-10 7.576375e-10 7.28852e-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" [ 0.00699471 0.0104861 0.0135576 0.0163659 0.0189973 0.0214587 0.023783 0.0259688 0.0280221 0.0299468 0.0317452 0.0334236 0.0349782 0.0364068 0.0377083 0.03889 0.0399426 0.0408625 0.0416473 0.0422944 0.0428012 0.0431648 0.0433823 0.0434574 0.0434193 0.0432912 0.0430473 0.0426537 0.0420648 0.0412206 0.0400349 0.0383851 0.0360959 0.0329068 0.028418 0.0219928 0.0125661 -0.00176093 -0.0246166 -0.0637854 -0.138446 -0.308445 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.120676083127597e-21 1.680058426337088e-21 2.172166975415808e-21 2.622106235835072e-21 3.0437029918323844e-21 3.438062745276096e-21 3.81045665724864e-21 4.160660423023104e-21 4.4896353485719686e-21 4.798006282777344e-21 5.086141726262016e-21 5.355051050297088e-21 5.6041254277666564e-21 5.833012379814145e-21 6.0415356670112645e-21 6.2308648782912e-21 6.3995099893966084e-21 6.546894216744001e-21 6.672633037944384e-21 6.776309887076353e-21 6.857508198218497e-21 6.915763340150785e-21 6.950610681653184e-21 6.962643028075393e-21 6.956538735150144e-21 6.936014852637697e-21 6.896937764856383e-21 6.833876093061696e-21 6.7395239118627845e-21 6.604268161534849e-21 6.414298079606592e-21 6.149970980707008e-21 5.7832007086734725e-21 5.272250562534144e-21 4.55306552098944e-21 3.523634998593024e-21 2.013311163463488e-21 -2.821320876865344e-22 -3.944014100358528e-21 -1.0219547662837633e-20 -2.2181494444327683e-20 -4.941833678026561e-20 ] } }