{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 7.40509 6.908922 6.601417 6.377999 6.202419 6.05776 5.934746 5.827735 5.733037 5.64811 5.571124 5.500721 5.435862 5.375739 5.319706 5.267242 5.217919 5.171383 5.127336 5.085524 5.045731 5.007773 4.971486 4.93673 4.913069 4.888166 4.861885 4.834064 4.80451 4.772995 4.739237 4.702895 4.663538 4.620623 4.573439 4.521044 4.462142 4.394884 4.316502 4.222572 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.405090000000001e-10 6.908922e-10 6.601417e-10 6.377999e-10 6.202419e-10 6.05776e-10 5.934745999999999e-10 5.827735e-10 5.733037e-10 5.64811e-10 5.571124e-10 5.500721000000001e-10 5.435862e-10 5.375739e-10 5.319706000000001e-10 5.267242e-10 5.217919e-10 5.171383e-10 5.127336e-10 5.085524e-10 5.045731e-10 5.007773000000001e-10 4.971486e-10 4.93673e-10 4.913069000000001e-10 4.888166e-10 4.861885e-10 4.834064e-10 4.804509999999999e-10 4.772995e-10 4.739237e-10 4.702895e-10 4.663538e-10 4.620623e-10 4.573439e-10 4.521044e-10 4.462142e-10 4.3948840000000006e-10 4.316502e-10 4.2225720000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.58818 2.38059 3.07702 3.71532 4.31194 4.87084 5.39808 5.89368 6.35922 6.79563 7.20386 7.58473 7.9372 8.26112 8.55745 8.82572 9.06438 9.27295 9.45089 9.59763 9.71254 9.79498 9.84575 9.86289 9.85427 9.82522 9.76993 9.68069 9.54766 9.35656 9.08772 8.71366 8.19461 7.47155 6.45378 4.9975 2.86013 -0.386761 -5.56891 -14.4491 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.544544865622144e-19 3.8141256417102727e-19 4.929929505734017e-19 5.952598842790656e-19 6.9084894582923525e-19 7.803945971657473e-19 8.6486775732080645e-19 9.442716306476544e-19 1.0188593610523776e-18 1.0887799509607105e-18 1.1541856071516288e-18 1.2152077081080385e-18 1.271679627461376e-18 1.3235773325623296e-18 1.371054632366496e-18 1.4140362245726978e-18 1.4522737718047104e-18 1.485690369584736e-18 1.5141995003752511e-18 1.5377098401088706e-18 1.5561204516584833e-18 1.5693287957203586e-18 1.5774630464241602e-18 1.5802091771522114e-18 1.5788281009050816e-18 1.5741737778216577e-18 1.5653153432852546e-18 1.5510175191212353e-18 1.529703763534733e-18 1.499086168311245e-18 1.4560132520376575e-18 1.396082233360013e-18 1.312921255857389e-18 1.197074273113824e-18 1.0340095431786624e-18 8.006877662448e-19 4.582433418448704e-19 -6.196594320372288e-20 -8.922377405339328e-19 -2.3150010211601283e-18 ] } }