{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" [ 6.10616 5.697024 5.443458 5.259229 5.114447 4.995163 4.893726 4.805485 4.727399 4.657368 4.593886 4.535832 4.482351 4.432773 4.386569 4.343307 4.302637 4.264263 4.227942 4.193464 4.160652 4.129351 4.099429 4.07077 4.051259 4.030725 4.009055 3.986114 3.961744 3.935757 3.907921 3.877954 3.845501 3.810114 3.771207 3.728004 3.679434 3.623975 3.559342 3.481889 3.385237 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.106160000000001e-10 5.697024e-10 5.443458e-10 5.259229000000001e-10 5.114447e-10 4.995163e-10 4.893726e-10 4.805485e-10 4.727399e-10 4.657368e-10 4.5938860000000007e-10 4.5358320000000004e-10 4.4823510000000004e-10 4.432773e-10 4.386569e-10 4.3433070000000006e-10 4.302637e-10 4.264263e-10 4.227942e-10 4.193464e-10 4.160652e-10 4.129351e-10 4.099429e-10 4.070770000000001e-10 4.051259e-10 4.0307250000000006e-10 4.0090550000000003e-10 3.986114e-10 3.961744e-10 3.935757e-10 3.907921e-10 3.8779540000000003e-10 3.845501e-10 3.810114e-10 3.771207e-10 3.728004e-10 3.679434e-10 3.6239750000000004e-10 3.5593420000000003e-10 3.481889e-10 3.3852370000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.81153 4.20099 5.43053 6.55574 7.60114 8.57914 9.501 10.3685 11.1835 11.9494 12.6656 13.3322 13.9496 14.5183 15.0366 15.5039 15.9195 16.2838 16.5945 16.8506 17.0511 17.1957 17.2848 17.3147 17.2996 17.2488 17.1522 16.9961 16.7626 16.4272 15.9556 15.2999 14.3908 13.1272 11.3483 8.80161 5.06466 -0.615318 -9.67846 -25.2068 -54.8174 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.504567634677824e-19 6.730727962214592e-19 8.700668204553025e-19 1.0503453360043393e-18 1.2178368799427712e-18 1.3745297534570113e-18 1.52222800742208e-18 1.66121682927648e-18 1.79179422387168e-18 1.9145049312587524e-18 2.029252820840448e-18 2.136053914382976e-18 2.234972298951168e-18 2.326088083376064e-18 2.4091288976321283e-18 2.483998611122112e-18 2.55058507148256e-18 2.608952365778304e-18 2.65873199338656e-18 2.6997637366452482e-18 2.7318873778922883e-18 2.755054851829056e-18 2.7693302455203842e-18 2.774120753616576e-18 2.7717014669191685e-18 2.763562409685504e-18 2.7480853835285764e-18 2.723075406477888e-18 2.685664582382208e-18 2.631927578520576e-18 2.556368929083648e-18 2.451314208057792e-18 2.305660331460864e-18 2.103209293656576e-18 1.818198094582464e-18 1.410173376739949e-18 8.114479844300929e-19 -9.858481139574145e-20 -1.5506602337347968e-18 -4.038574564518144e-18 -8.782715669304193e-18 ] } }