{ "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 2.19011 2.173932 2.157244 2.140015 2.122206 2.103779 2.084689 2.064886 2.044314 2.022913 2.000611 1.97733 1.95298 1.927459 1.900647 1.872407 1.842578 1.810972 1.777361 1.741476 1.702986 1.661483 1.616453 1.567244 1.512997 1.452563 1.384346 1.306042 1.214142 1.10291 ] "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 2.1901099999999998e-10 2.1739320000000002e-10 2.157244e-10 2.140015e-10 2.1222059999999998e-10 2.103779e-10 2.0846890000000002e-10 2.064886e-10 2.044314e-10 2.022913e-10 2.0006110000000002e-10 1.97733e-10 1.95298e-10 1.9274590000000002e-10 1.900647e-10 1.872407e-10 1.8425780000000001e-10 1.810972e-10 1.777361e-10 1.741476e-10 1.7029860000000002e-10 1.6614830000000002e-10 1.616453e-10 1.567244e-10 1.512997e-10 1.452563e-10 1.384346e-10 1.306042e-10 1.2141420000000002e-10 1.1029100000000001e-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 5.975 5.96219 5.94142 5.91128 5.87011 5.81591 5.7463 5.65837 5.54858 5.41262 5.24513 5.03947 4.78732 4.47815 4.09848 3.63094 3.05274 2.33375 1.43326 0.196057 -1.64991 -3.9826 -6.80655 -10.3787 -15.1514 -22.546 -33.7648 -50.5302 -78.4241 -132.09 ] "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 9.57300538815e-19 9.552481505468459e-19 9.51920429678028e-19 9.47091469303152e-19 9.40495308100974e-19 9.31811510744694e-19 9.206587591954199e-19 9.065708200526579e-19 8.88980522787972e-19 8.67197329272108e-19 8.403624728292419e-19 8.074121081743979e-19 7.670132243480879e-19 7.1747872935471e-19 6.56648889091632e-19 5.8174072274559595e-19 4.89102869767716e-19 3.7390797195975003e-19 2.2963356824468396e-19 3.1411794433213796e-20 -2.6434472502029397e-19 -6.3808286625684e-19 -1.0905295368152698e-18 -1.6628510631295799e-18 -2.4275219052387598e-18 -3.6122674390164e-18 -5.40971736116832e-18 -8.095830575134679e-18 -1.2564926056247938e-17 -2.1163151158506e-17 ] } }