{ "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" [ "Nb" "Nb" ] } "a" { "source-value" [ 4.98357 4.649652 4.442704 4.292344 4.17418 4.076826 3.994038 3.92202 3.858289 3.801134 3.749323 3.701942 3.658293 3.61783 3.58012 3.544812 3.511619 3.4803 3.450656 3.422517 3.395737 3.370191 3.34577 3.32238 3.306456 3.289697 3.27201 3.253286 3.233397 3.212187 3.189469 3.16501 3.138524 3.109642 3.077888 3.042626 3.002986 2.957722 2.904971 2.841756 2.762873 2.6579 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98357e-10 4.6496519999999997e-10 4.4427040000000003e-10 4.2923440000000003e-10 4.17418e-10 4.076826e-10 3.9940380000000006e-10 3.92202e-10 3.858289e-10 3.801134e-10 3.7493230000000003e-10 3.701942e-10 3.658293e-10 3.6178300000000004e-10 3.58012e-10 3.544812e-10 3.5116190000000004e-10 3.4803000000000004e-10 3.450656e-10 3.422517e-10 3.395737e-10 3.370191e-10 3.34577e-10 3.32238e-10 3.306456e-10 3.289697e-10 3.27201e-10 3.253286e-10 3.233397e-10 3.212187e-10 3.189469e-10 3.16501e-10 3.138524e-10 3.109642e-10 3.077888e-10 3.042626e-10 3.002986e-10 2.9577220000000003e-10 2.9049710000000004e-10 2.8417560000000004e-10 2.762873e-10 2.6579e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0416603 1.12394 2.00589 2.79818 3.5549 4.22257 4.75871 5.17372 5.49699 5.75589 5.9697 6.15301 6.31023 6.44664 6.56542 6.66746 6.75326 6.82336 6.87941 6.9234 6.95654 6.97954 6.99296 6.9973 6.99523 6.98851 6.97615 6.95677 6.92858 6.88956 6.83713 6.76762 6.67578 6.55518 6.39688 6.18723 5.90352 5.50795 4.93659 4.07061 2.68455 -0.0676491 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.674715867551424e-21 1.800750391181952e-19 3.2137900618965123e-19 4.483178576790144e-19 5.69557766928192e-19 6.765302933691457e-19 7.624293907167168e-19 8.289213226565377e-19 8.807148862771392e-19 9.221952389896513e-19 9.56451377318976e-19 9.858208769548609e-19 1.0110102977870784e-18 1.0328655890714113e-18 1.0518962429732735e-18 1.0682448532119169e-18 1.0819915286183809e-18 1.093222786730189e-18 1.1022029866897729e-18 1.109250961644672e-18 1.1145605749660033e-18 1.1182455811938433e-18 1.1203957022189569e-18 1.121091046872384e-18 1.1207593963118786e-18 1.1196827336227009e-18 1.117702443319392e-18 1.1145974250282817e-18 1.1100808891342464e-18 1.1038291959598849e-18 1.0954289839370306e-18 1.0842922542458497e-18 1.0695778641604224e-18 1.0502556141135745e-18 1.0248931582063105e-18 9.913035253512384e-19 9.458481724425216e-19 8.824708718535361e-19 7.909289084475072e-19 6.521836174394689e-19 4.301123247368641e-19 -1.0838580643816129e-20 ] } }