{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 13.0993 12.221597 11.677632 11.282412 10.971818 10.715923 10.498315 10.309015 10.141499 9.991266 9.85508 9.730539 9.615807 9.509451 9.410331 9.317524 9.230274 9.147953 9.070035 8.996071 8.92568 8.858532 8.794342 8.73286 8.691005 8.646954 8.600464 8.551249 8.498971 8.443221 8.383506 8.319218 8.249599 8.173683 8.090218 7.997534 7.893339 7.774364 7.63571 7.469551 7.262208 6.98629 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.30993e-09 1.2221597e-09 1.1677631999999999e-09 1.1282412000000002e-09 1.0971818e-09 1.0715923000000001e-09 1.0498315e-09 1.0309015e-09 1.0141499e-09 9.991266e-10 9.85508e-10 9.730539e-10 9.615807000000001e-10 9.509451e-10 9.410331e-10 9.317524000000002e-10 9.230274e-10 9.147952999999999e-10 9.070035000000002e-10 8.996071000000001e-10 8.92568e-10 8.858532000000001e-10 8.794342e-10 8.732860000000001e-10 8.691005000000001e-10 8.646953999999999e-10 8.600464000000001e-10 8.551249000000001e-10 8.498970999999999e-10 8.443221e-10 8.383506000000001e-10 8.319218e-10 8.249599e-10 8.173683000000001e-10 8.090218e-10 7.997534e-10 7.893339e-10 7.774364e-10 7.635710000000001e-10 7.469551000000001e-10 7.262208e-10 6.986290000000001e-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 0.0507187 0.266887 0.371016 0.441536 0.491359 0.531234 0.565622 0.595389 0.620954 0.642763 0.661239 0.676758 0.689654 0.700214 0.708719 0.7155 0.720841 0.724971 0.728073 0.730298 0.73177 0.732591 0.732848 0.73273 0.732351 0.73167 0.730637 0.729189 0.727241 0.72469 0.721399 0.717191 0.711826 0.704973 0.6958 0.682841 0.664915 0.643505 0.62453 0.622374 0.626574 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 8.126031537736896e-21 4.276001117954496e-20 5.944331611427329e-20 7.074186564415488e-20 7.872439022196672e-20 8.511306949740672e-20 9.062263446101376e-20 9.539183360814911e-20 9.948779813922433e-20 1.0298198513152704e-19 1.0594216665611713e-19 1.0842858455393664e-19 1.1049475152412034e-19 1.1218665003568513e-19 1.1354930125167553e-19 1.1463573721824e-19 1.1549145975140928e-19 1.1615315869579968e-19 1.1665015388357183e-19 1.1700663818169986e-19 1.172424785802816e-19 1.173740172808493e-19 1.1741519322000384e-19 1.173962875358784e-19 1.1733556504195009e-19 1.172264568140736e-19 1.1706095196914497e-19 1.1682895679445311e-19 1.1651685278872129e-19 1.161081375327552e-19 1.1558086120684992e-19 1.149066652848173e-19 1.1404709752775808e-19 1.1294912588952383e-19 1.1147944927526401e-19 1.094031885923693e-19 1.0653112678192321e-19 1.0310086663679041e-19 1.0006073649882241e-19 9.971530721937792e-20 1.0038822140011392e-19 ] } }