{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30524 4.016773 3.837993 3.708099 3.606019 3.521916 3.450397 3.388181 3.333125 3.283749 3.23899 3.198059 3.160351 3.125395 3.092818 3.062316 3.033641 3.006585 2.980976 2.956667 2.933532 2.911464 2.890367 2.87016 2.856404 2.841926 2.826647 2.810472 2.79329 2.774967 2.755341 2.734212 2.711331 2.68638 2.658948 2.628487 2.594242 2.555139 2.509569 2.454959 2.386814 2.29613 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3052400000000006e-10 4.0167729999999997e-10 3.837993e-10 3.708099e-10 3.606019e-10 3.521916e-10 3.4503970000000004e-10 3.388181e-10 3.333125e-10 3.283749e-10 3.23899e-10 3.1980590000000004e-10 3.160351e-10 3.1253950000000004e-10 3.092818e-10 3.0623160000000003e-10 3.033641e-10 3.006585e-10 2.980976e-10 2.956667e-10 2.933532e-10 2.911464e-10 2.890367e-10 2.8701599999999997e-10 2.856404e-10 2.8419260000000003e-10 2.826647e-10 2.810472e-10 2.79329e-10 2.774967e-10 2.755341e-10 2.734212e-10 2.711331e-10 2.6863800000000005e-10 2.6589480000000003e-10 2.628487e-10 2.594242e-10 2.5551390000000003e-10 2.509569e-10 2.454959e-10 2.3868140000000003e-10 2.29613e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900131 1.3472 1.68267 1.95111 2.17551 2.3667 2.53561 2.68448 2.81504 2.92997 3.03122 3.11876 3.1917 3.25487 3.30913 3.3553 3.39398 3.42572 3.45155 3.47404 3.49094 3.50263 3.50946 3.5117 3.5107 3.50774 3.50189 3.49249 3.47862 3.45905 3.43142 3.39468 3.34616 3.28205 3.19713 3.08344 2.92906 2.71471 2.40753 1.94343 1.19461 -0.152237 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.442168843857325e-19 2.15845234354176e-19 2.695934534521536e-19 3.126022826609088e-19 3.4855512603166084e-19 3.79187140844736e-19 4.0624950614666884e-19 4.301011095005185e-19 4.510191274616833e-19 4.6943294336453765e-19 4.856549816501376e-19 4.996804357886208e-19 5.11366712060736e-19 5.214876617743296e-19 5.301810721187904e-19 5.375783215770241e-19 5.437755407462784e-19 5.488608493406976e-19 5.5299927155222405e-19 5.566025667724032e-19 5.593102452615553e-19 5.611831897312704e-19 5.622774763632768e-19 5.62636363926336e-19 5.624761462642561e-19 5.620019019844992e-19 5.610646286613312e-19 5.595585826377793e-19 5.573363636647296e-19 5.54200904017824e-19 5.497740900145537e-19 5.438876931097344e-19 5.361139321456128e-19 5.25842377829664e-19 5.122366939658305e-19 4.940215479639552e-19 4.692871452920449e-19 4.349444894251968e-19 3.857288279874624e-19 3.113718110161344e-19 1.913976212973888e-19 -2.4391056222072964e-20 ] } }