{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 12.5918 11.748104 11.225215 10.845309 10.546748 10.300768 10.091592 9.909626 9.7486 9.604188 9.473279 9.353564 9.243277 9.141042 9.045762 8.956551 8.872681 8.79355 8.718651 8.647553 8.579889 8.515343 8.45364 8.39454 8.354306 8.311962 8.267273 8.219965 8.169711 8.116121 8.058719 7.996922 7.93 7.857025 7.776793 7.6877 7.587541 7.473175 7.339892 7.18017 6.980859 6.71563 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.25918e-09 1.1748104e-09 1.1225215e-09 1.0845309e-09 1.0546748e-09 1.0300768e-09 1.0091592e-09 9.909626e-10 9.7486e-10 9.604188000000001e-10 9.473279e-10 9.353564e-10 9.243277000000001e-10 9.141042000000001e-10 9.045762e-10 8.956551e-10 8.872681e-10 8.79355e-10 8.718651e-10 8.647553000000001e-10 8.579889e-10 8.515343e-10 8.45364e-10 8.39454e-10 8.354306e-10 8.311962e-10 8.267273e-10 8.219965000000001e-10 8.169711e-10 8.116121e-10 8.058719e-10 7.996922e-10 7.93e-10 7.857025000000001e-10 7.776793e-10 7.6877e-10 7.587541000000001e-10 7.473175000000001e-10 7.339892e-10 7.18017e-10 6.980859e-10 6.71563e-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" [ 0.293335 0.387692 0.454996 0.50843 0.552046 0.588228 0.619849 0.647444 0.671174 0.691606 0.709175 0.724219 0.737013 0.747779 0.757763 0.766883 0.774493 0.780706 0.785619 0.789318 0.791877 0.79426 0.795656 0.79611 0.795891 0.795168 0.793828 0.791728 0.788681 0.784449 0.778712 0.771046 0.760866 0.74762 0.730556 0.707446 0.675662 0.632416 0.570899 0.476516 0.322423 0.041649 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.69974479062368e-20 6.211510584711937e-20 7.289839537575169e-20 8.145946593133442e-20 8.844751948061569e-20 9.424451492999424e-20 9.931075762262592e-20 1.0373196400772353e-19 1.0753392912888193e-19 1.108074964005005e-19 1.13622360505584e-19 1.1603267501391552e-19 1.1808249978256705e-19 1.198074031325203e-19 1.2140701627072705e-19 1.2286820134889665e-19 1.2408745775732544e-19 1.2508289009182848e-19 1.258700394656275e-19 1.2646268459766144e-19 1.2687268159492418e-19 1.272544802836608e-19 1.274781441399245e-19 1.275508829585088e-19 1.275157952905133e-19 1.2739995792082945e-19 1.2718526625364224e-19 1.2684880916327425e-19 1.2636062594691648e-19 1.256825848009939e-19 1.2476341607364097e-19 1.235351874761357e-19 1.219041716761613e-19 1.197819285242496e-19 1.1704797433851648e-19 1.1334534416784768e-19 1.0825298599629697e-19 1.0132421298198529e-19 9.146810306380993e-20 7.634627946371328e-20 5.1657859260819843e-20 6.67290540796992e-21 ] } }