{ "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" [ "B" "B" ] } "a" { "source-value" [ 3.30872 3.087023 2.949624 2.849796 2.771344 2.706708 2.651743 2.603928 2.561615 2.523668 2.489269 2.457812 2.428832 2.401968 2.376931 2.353489 2.331451 2.310658 2.290976 2.272294 2.254514 2.237553 2.22134 2.20581 2.195238 2.184111 2.172369 2.159938 2.146733 2.132651 2.117568 2.10133 2.083745 2.064569 2.043487 2.020077 1.993758 1.963707 1.928685 1.886715 1.834343 1.76465 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.3087200000000003e-10 3.087023e-10 2.949624e-10 2.849796e-10 2.771344e-10 2.706708e-10 2.6517430000000005e-10 2.603928e-10 2.5616150000000004e-10 2.523668e-10 2.4892690000000003e-10 2.457812e-10 2.428832e-10 2.401968e-10 2.376931e-10 2.3534890000000003e-10 2.331451e-10 2.3106580000000001e-10 2.2909760000000003e-10 2.2722940000000002e-10 2.254514e-10 2.237553e-10 2.2213400000000002e-10 2.20581e-10 2.1952379999999998e-10 2.1841110000000001e-10 2.1723690000000004e-10 2.159938e-10 2.1467329999999999e-10 2.1326510000000002e-10 2.117568e-10 2.10133e-10 2.083745e-10 2.0645690000000002e-10 2.043487e-10 2.0200770000000003e-10 1.993758e-10 1.963707e-10 1.9286850000000001e-10 1.886715e-10 1.834343e-10 1.7646500000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0.210062 2.01856 3.1708 3.93011 4.42602 4.71563 4.85848 4.96755 5.06858 5.16989 5.27693 5.38921 5.50219 5.6102 5.70833 5.79311 5.86246 5.91553 5.95237 5.97364 5.98045 5.97763 5.97106 5.96058 5.94532 5.92412 5.89553 5.85761 5.80777 5.74248 5.65683 5.54376 5.39283 5.18799 4.9033 4.49412 3.87697 2.87647 1.05092 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 3.3655642809130796e-20 3.23408966632704e-19 5.080181671087199e-19 6.296730411049739e-19 7.09126582561668e-19 7.555272200589419e-19 7.78414313275632e-19 7.9588925382267e-19 8.1207604435597195e-19 8.283076958350259e-19 8.45457394525362e-19 8.63446633771914e-19 8.815480253828459e-19 8.9885313520668e-19 9.14575294516122e-19 9.28158548019174e-19 9.392696429759638e-19 9.47772394372602e-19 9.53674813092258e-19 9.57082642792776e-19 9.5817372508053e-19 9.57721911269742e-19 9.566692812212038e-19 9.54990200108772e-19 9.52545278565288e-19 9.49148664101208e-19 9.44568041104602e-19 9.38492587308474e-19 9.305073389646178e-19 9.200467277212318e-19 9.06324084851022e-19 8.88208273650384e-19 8.640266217134219e-19 8.312076355425659e-19 7.855952689492199e-19 7.200374054392079e-19 6.21159074471898e-19 4.608613022401979e-19 1.68375946820328e-19 ] } }