{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.19374 3.912745 3.738595 3.612066 3.512629 3.430705 3.361038 3.300434 3.246804 3.198707 3.155107 3.115236 3.078504 3.044455 3.012721 2.983009 2.955076 2.928722 2.903776 2.880097 2.857561 2.836064 2.815513 2.79583 2.775931 2.755425 2.734274 2.712435 2.689864 2.666507 2.642311 2.61721 2.591136 2.56401 2.535743 2.506235 2.475372 2.443024 2.40904 2.373246 2.335439 2.295378 2.252778 2.207294 2.158508 2.105903 2.048829 1.986456 1.917699 1.8411 1.754636 1.655388 1.538905 1.39792 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.19374e-10 3.912745e-10 3.7385950000000004e-10 3.612066e-10 3.5126290000000003e-10 3.4307050000000004e-10 3.3610380000000003e-10 3.3004340000000003e-10 3.2468040000000003e-10 3.198707e-10 3.1551070000000005e-10 3.115236e-10 3.078504e-10 3.0444550000000003e-10 3.0127210000000003e-10 2.983009e-10 2.955076e-10 2.928722e-10 2.9037760000000005e-10 2.8800970000000003e-10 2.857561e-10 2.836064e-10 2.8155130000000003e-10 2.79583e-10 2.7759310000000003e-10 2.755425e-10 2.734274e-10 2.712435e-10 2.689864e-10 2.666507e-10 2.642311e-10 2.61721e-10 2.591136e-10 2.56401e-10 2.535743e-10 2.5062350000000004e-10 2.4753720000000004e-10 2.443024e-10 2.40904e-10 2.373246e-10 2.335439e-10 2.295378e-10 2.2527780000000002e-10 2.207294e-10 2.158508e-10 2.105903e-10 2.0488290000000001e-10 1.986456e-10 1.9176990000000002e-10 1.8411e-10 1.7546360000000002e-10 1.655388e-10 1.538905e-10 1.39792e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.73271 2.27165 2.67101 2.99255 3.26192 3.49272 3.69323 3.86895 4.02375 4.1605 4.2814 4.38818 4.48224 4.56473 4.63659 4.69865 4.75159 4.79603 4.83249 4.86142 4.88326 4.8984 4.90724 4.91011 4.90703 4.89706 4.87902 4.85146 4.81269 4.76067 4.69296 4.60658 4.49796 4.36271 4.19541 3.98936 3.73621 3.42551 3.04414 2.57534 1.99748 1.28221 0.392014 -0.723667 -2.13402 -3.9357 -6.2668 -9.32992 -13.4332 -19.0636 -27.0257 -38.7313 -56.8638 -87.0823 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.77610747549814e-19 3.6395845506261e-19 4.2794298111803395e-19 4.7945936860767e-19 5.226172005977279e-19 5.59595437310448e-19 5.91720680998782e-19 6.1987412881143e-19 6.446758231057499e-19 6.665855885757e-19 6.859559040807599e-19 7.03063946178612e-19 7.181340195980159e-19 7.31350374651882e-19 7.42863615943806e-19 7.528067241344099e-19 7.612886472348059e-19 7.68408720196302e-19 7.742502562038659e-19 7.788853532060279e-19 7.82384506974684e-19 7.848102023985599e-19 7.86226526543016e-19 7.86686351236974e-19 7.861928808337019e-19 7.845955107296039e-19 7.817051840818679e-19 7.77289585278564e-19 7.710779464685459e-19 7.62743423618478e-19 7.51895085629664e-19 7.38055483865172e-19 7.20652641266664e-19 6.9898320229181395e-19 6.72178787204994e-19 6.391659376614239e-19 5.986068361717139e-19 5.48827208153334e-19 4.87724997862476e-19 4.12614957260556e-19 3.2003157828823195e-19 2.05432690188114e-19 6.280756710008759e-20 -1.1594423581968779e-19 -3.41907698048868e-19 -6.3056865784338e-19 -1.0040520529951198e-18 -1.4948179821089278e-18 -2.1522359159848797e-18 -3.05432544799224e-18 -4.32999450574938e-18 -6.205438386444419e-18 -9.110585168044918e-18 -1.395212262949782e-17 ] } }