{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.80602 8.215984 7.850303 7.584617 7.37582 7.203794 7.057508 6.930251 6.817638 6.716643 6.625093 6.54137 6.464241 6.392743 6.32611 6.26372 6.205067 6.149727 6.097346 6.047623 6.000303 5.955163 5.912011 5.87068 5.828896 5.785837 5.741424 5.695567 5.648171 5.599128 5.548319 5.495613 5.440863 5.383903 5.324548 5.262587 5.197781 5.129855 5.058496 4.983336 4.903948 4.819828 4.730375 4.634868 4.532427 4.421967 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.806020000000001e-10 8.215984e-10 7.850303e-10 7.584617e-10 7.375820000000001e-10 7.203794000000001e-10 7.057508e-10 6.930251e-10 6.817638e-10 6.716643000000001e-10 6.625093e-10 6.54137e-10 6.464241000000001e-10 6.392743e-10 6.326110000000001e-10 6.26372e-10 6.205066999999999e-10 6.149727e-10 6.097346e-10 6.047623e-10 6.000303e-10 5.955163e-10 5.912011e-10 5.87068e-10 5.828896e-10 5.785837e-10 5.741424000000001e-10 5.695567e-10 5.648171e-10 5.599128e-10 5.548319e-10 5.495613e-10 5.440863000000001e-10 5.383903e-10 5.324548e-10 5.262587e-10 5.197781000000001e-10 5.129855e-10 5.058496e-10 4.983336000000001e-10 4.903948e-10 4.819828000000001e-10 4.730375000000001e-10 4.6348680000000003e-10 4.5324270000000006e-10 4.4219670000000007e-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" [ 0.592595 0.888265 1.14812 1.38629 1.60891 1.81745 2.01417 2.1991 2.3728 2.53564 2.68796 2.83008 2.96159 3.08245 3.19302 3.29312 3.38217 3.45999 3.52639 3.58114 3.62401 3.65477 3.67372 3.68011 3.67289 3.64875 3.60322 3.53098 3.42454 3.27462 3.06925 2.79281 2.42478 1.93816 1.29619 0.449287 -0.669993 -2.15781 -4.14924 -6.83795 -10.5116 -15.6026 -22.7834 -33.1234 -48.3881 -71.6128 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.4944186242523e-20 1.42315742780001e-19 1.8394910370280798e-19 2.22108144594786e-19 2.57775800820894e-19 2.9118759234633e-19 3.22705611090378e-19 3.5233466358293996e-19 3.8016447171551994e-19 4.0625431602357595e-19 4.3065867051266396e-19 4.53428804835072e-19 4.74499029748806e-19 4.9386293654733e-19 5.11578203589468e-19 5.27615991695808e-19 5.41883374621578e-19 5.54351513187366e-19 5.649899660371259e-19 5.737618831082759e-19 5.80630414338234e-19 5.855587096644179e-19 5.88594834385848e-19 5.896186252549739e-19 5.88461853725226e-19 5.8459419933075e-19 5.77299489116148e-19 5.657253651121319e-19 5.48671797019836e-19 5.246519649229079e-19 4.917480633904499e-19 4.47457492520154e-19 3.88492585859052e-19 3.10527466495344e-19 2.07672533122446e-19 7.19837133359958e-20 -1.0734471295435619e-19 -3.45719276261154e-19 -6.647815376858159e-19 -1.09556037144603e-18 -1.6841439905954397e-18 -2.49981211496484e-18 -3.65030311230756e-18 -5.306953751863559e-18 -7.75262831836554e-18 -1.1473635485531518e-17 ] } }