{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.98255 7.44769 7.116205 6.875363 6.686091 6.530152 6.397545 6.282188 6.180106 6.088555 6.005566 5.929673 5.859756 5.794944 5.734541 5.677986 5.624817 5.574652 5.52717 5.482097 5.439202 5.398283 5.359166 5.3217 5.296194 5.26935 5.241019 5.211029 5.17917 5.145197 5.108807 5.069631 5.027206 4.980944 4.930081 4.873601 4.810106 4.737603 4.653109 4.551854 4.425501 4.25736 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.982550000000001e-10 7.44769e-10 7.116205e-10 6.875363e-10 6.686091000000001e-10 6.530152e-10 6.397545000000001e-10 6.282188e-10 6.180106e-10 6.088555e-10 6.005566e-10 5.929673e-10 5.859756e-10 5.794944e-10 5.734541e-10 5.677986e-10 5.624817e-10 5.574652000000001e-10 5.52717e-10 5.482097e-10 5.439202e-10 5.398283000000001e-10 5.359166e-10 5.3217e-10 5.296194e-10 5.26935e-10 5.241019e-10 5.211029e-10 5.17917e-10 5.145197e-10 5.108807e-10 5.069631e-10 5.027206e-10 4.980944e-10 4.930081000000001e-10 4.873601e-10 4.810106000000001e-10 4.737603e-10 4.653109e-10 4.551854e-10 4.4255009999999997e-10 4.2573600000000004e-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" [ 0.0603519 0.246969 0.398884 0.50639 0.588996 0.659602 0.724422 0.785988 0.845059 0.901605 0.955298 1.00575 1.05261 1.09562 1.13461 1.1695 1.20026 1.22694 1.24962 1.26804 1.28157 1.29064 1.29574 1.29733 1.2966 1.29426 1.29008 1.2838 1.27511 1.26365 1.24903 1.23084 1.20863 1.18202 1.15067 1.11422 1.07192 1.02103 0.947725 0.795505 0.466356 -0.231307 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.669440320085952e-21 3.956879578623552e-20 6.390826192111872e-20 8.11326219006912e-20 9.436756209447168e-20 1.0567989034329217e-19 1.1606519919931777e-19 1.2592915978293505e-19 1.3539337729966272e-19 1.444530452196384e-19 1.5305561214969984e-19 1.6113891363696e-19 1.6864671328202881e-19 1.7553767492808962e-19 1.817845615725888e-19 1.8737455580256002e-19 1.9230285108814083e-19 1.965774583124352e-19 2.0021119488840961e-19 2.0316240422392323e-19 2.0533014919186563e-19 2.067833233869312e-19 2.076004334635392e-19 2.0785517954624643e-19 2.0773822065292802e-19 2.0736331132366082e-19 2.066936014961664e-19 2.0568743457830403e-19 2.0429514309482882e-19 2.02459048687392e-19 2.0011666646778244e-19 1.972023071945472e-19 1.9364387291975042e-19 1.8938048093180162e-19 1.8435765722559363e-19 1.7851772344277762e-19 1.7174051633679362e-19 1.6358703951354242e-19 1.5184228379476802e-19 1.274539512729504e-19 7.471846801698048e-20 -3.7059466762738566e-20 ] } }