{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.8327 4.508891 4.308208 4.1624 4.047813 3.953406 3.873125 3.803287 3.741486 3.68606 3.635818 3.589871 3.547544 3.508306 3.471738 3.437499 3.40531 3.374939 3.346193 3.318906 3.292936 3.268164 3.244482 3.2218 3.206358 3.190107 3.172955 3.154799 3.135511 3.114944 3.092913 3.069195 3.043511 3.015503 2.984711 2.950517 2.912077 2.868183 2.81703 2.755729 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.8327e-10 4.5088910000000006e-10 4.3082079999999996e-10 4.1624e-10 4.0478129999999997e-10 3.9534060000000004e-10 3.873125e-10 3.803287e-10 3.741486e-10 3.68606e-10 3.635818e-10 3.589871e-10 3.547544e-10 3.508306e-10 3.471738e-10 3.437499e-10 3.40531e-10 3.374939e-10 3.346193e-10 3.318906e-10 3.292936e-10 3.268164e-10 3.244482e-10 3.2218e-10 3.206358e-10 3.190107e-10 3.172955e-10 3.154799e-10 3.135511e-10 3.114944e-10 3.0929129999999997e-10 3.069195e-10 3.0435110000000003e-10 3.015503e-10 2.984711e-10 2.950517e-10 2.912077e-10 2.868183e-10 2.81703e-10 2.755729e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.732962 1.16951 1.50256 1.8297 2.10464 2.32146 2.50567 2.69029 2.87767 3.05972 3.22807 3.37076 3.48371 3.57232 3.64279 3.69911 3.74292 3.77665 3.8028 3.8233 3.83947 3.85218 3.86051 3.86345 3.86201 3.85728 3.84832 3.83345 3.8102 3.77487 3.72186 3.64262 3.52511 3.35244 3.10023 2.74088 2.24015 1.56535 0.668594 -0.600662 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1743345803348097e-19 1.8737615797918082e-19 2.407366503349248e-19 2.9315025630777603e-19 3.372005003200512e-19 3.7193889381223685e-19 4.014525893439936e-19 4.3103197411720324e-19 4.610535596377536e-19 4.902211850194176e-19 5.171938284305857e-19 5.400552866327809e-19 5.581518715647168e-19 5.723487586016256e-19 5.836392972484032e-19 5.926627559767488e-19 5.996818917524736e-19 6.05086033494432e-19 6.09275725357824e-19 6.12560187430464e-19 6.151509070262976e-19 6.171872735113345e-19 6.185218866364609e-19 6.18992926562976e-19 6.187622131295808e-19 6.180043835879424e-19 6.165688333357056e-19 6.141863967005761e-19 6.10461336057216e-19 6.048008460559297e-19 5.963077077890688e-19 5.836120602458496e-19 5.647848827748289e-19 5.371200990634753e-19 4.967116025102784e-19 4.391373856418305e-19 3.58911595708512e-19 2.50796717336928e-19 1.0712056756071553e-19 -9.623666134029697e-20 ] } }