{ "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" [ "Be" "Be" ] } "a" { "source-value" [ 3.80292 3.54811 3.390189 3.275452 3.185281 3.110991 3.047817 2.99286 2.944228 2.900613 2.861077 2.824921 2.791612 2.760736 2.731959 2.705016 2.679686 2.655788 2.633167 2.611694 2.591258 2.571764 2.553129 2.53528 2.517235 2.49864 2.47946 2.459657 2.439188 2.418009 2.396067 2.373306 2.349662 2.325063 2.29943 2.272672 2.244685 2.215352 2.184535 2.152076 2.117792 2.081465 2.042834 2.001589 1.957349 1.909646 1.857891 1.801331 1.738981 1.66952 1.591114 1.501114 1.395487 1.26764 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.80292e-10 3.54811e-10 3.390189e-10 3.275452e-10 3.185281e-10 3.110991e-10 3.0478170000000003e-10 2.9928599999999997e-10 2.944228e-10 2.900613e-10 2.861077e-10 2.8249209999999997e-10 2.791612e-10 2.760736e-10 2.731959e-10 2.7050160000000004e-10 2.6796859999999997e-10 2.655788e-10 2.633167e-10 2.611694e-10 2.5912579999999997e-10 2.5717640000000003e-10 2.553129e-10 2.5352800000000004e-10 2.517235e-10 2.49864e-10 2.47946e-10 2.459657e-10 2.439188e-10 2.418009e-10 2.396067e-10 2.373306e-10 2.349662e-10 2.3250630000000002e-10 2.29943e-10 2.2726720000000002e-10 2.2446850000000001e-10 2.2153520000000004e-10 2.184535e-10 2.152076e-10 2.1177920000000002e-10 2.0814650000000002e-10 2.0428340000000002e-10 2.0015890000000002e-10 1.9573490000000002e-10 1.909646e-10 1.857891e-10 1.801331e-10 1.7389810000000003e-10 1.66952e-10 1.591114e-10 1.5011140000000002e-10 1.395487e-10 1.2676400000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.28059 1.69567 1.9853 2.20704 2.38488 2.5315 2.65455 2.75905 2.8485 2.92545 2.99182 3.04911 3.09849 3.14094 3.17722 3.208 3.23382 3.25515 3.27241 3.28593 3.29602 3.30295 3.30696 3.30825 3.30688 3.30249 3.29462 3.28271 3.26612 3.24411 3.21577 3.18005 3.13566 3.0811 3.0145 2.93362 2.83571 2.71735 2.57429 2.40118 2.1912 1.93558 1.62286 1.23786 0.760099 0.161455 -0.597837 -1.57578 -2.85987 -4.58732 -6.98464 -10.4531 -15.7744 -24.7079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0517313757340598e-19 2.71676285297478e-19 3.1808012714802e-19 3.53606791830336e-19 3.8209990108939196e-19 4.0559101489709994e-19 4.2530579837847e-19 4.420485442037699e-19 4.563800141948999e-19 4.6870876339353e-19 4.7934240971338795e-19 4.88521279649574e-19 4.964328278682659e-19 5.03234067679596e-19 5.09046764507748e-19 5.1397826418719995e-19 5.18115084256188e-19 5.2153252701651e-19 5.242978838867939e-19 5.26464026695962e-19 5.28080622919668e-19 5.2919093132703e-19 5.29833404157264e-19 5.3004008494305e-19 5.2982058674419195e-19 5.29117231201866e-19 5.27856318190908e-19 5.259481258198139e-19 5.23290114784008e-19 5.19763724012574e-19 5.152231554318179e-19 5.095001804951699e-19 5.02388118416844e-19 4.9364664270174e-19 4.829761463193e-19 4.70017741703508e-19 4.54330830280014e-19 4.3536746763999e-19 4.1244672871398594e-19 3.84711449002812e-19 3.5106894404207997e-19 3.10114104923772e-19 2.6001083722532396e-19 1.9832703681632398e-19 1.217812857326766e-19 2.5867942844246997e-20 -9.578404723406578e-20 -2.5246778963245195e-19 -4.582016890277579e-19 -7.34969691668088e-19 -1.1190627004901759e-18 -1.6747712572865398e-18 -2.52733750953696e-18 -3.9586420055208594e-18 ] } }