{ "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" [ "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" [ 8.1837 7.635362 7.295524 7.048613 6.854572 6.694703 6.558755 6.440491 6.335836 6.241979 6.156899 6.079093 6.007415 5.940969 5.879045 5.821064 5.766556 5.715126 5.666447 5.620239 5.576263 5.534313 5.49421 5.4558 5.416969 5.376953 5.335678 5.293062 5.249016 5.203438 5.15622 5.107239 5.056358 5.003424 4.948263 4.890681 4.830454 4.767329 4.701013 4.631164 4.557387 4.479211 4.39608 4.307323 4.212121 4.109467 3.998092 3.876377 3.742203 3.592727 3.424001 3.230326 3.00302 2.7279 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1837e-10 7.635362e-10 7.295524000000001e-10 7.048613e-10 6.854572000000001e-10 6.694703e-10 6.558755e-10 6.440491e-10 6.335836e-10 6.241979e-10 6.156899e-10 6.079093e-10 6.007415e-10 5.940969e-10 5.879045e-10 5.821064e-10 5.766556e-10 5.715126e-10 5.666447e-10 5.620239e-10 5.576263e-10 5.534313e-10 5.49421e-10 5.4558e-10 5.416969e-10 5.376953000000001e-10 5.335678e-10 5.293062e-10 5.249016e-10 5.203438000000001e-10 5.15622e-10 5.107239e-10 5.056358e-10 5.003424e-10 4.948263e-10 4.890681e-10 4.830454e-10 4.767329000000001e-10 4.701013e-10 4.6311640000000004e-10 4.5573870000000007e-10 4.4792110000000003e-10 4.396080000000001e-10 4.3073230000000003e-10 4.212121e-10 4.1094670000000005e-10 3.9980920000000004e-10 3.876377e-10 3.742203e-10 3.592727e-10 3.424001e-10 3.2303259999999997e-10 3.00302e-10 2.7279e-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" [ 1.04391 1.49856 1.81571 2.06031 2.25827 2.42301 2.56251 2.68201 2.78514 2.87454 2.95222 3.01973 3.07831 3.12897 3.17254 3.2097 3.24106 3.2671 3.28826 3.30493 3.31742 3.32605 3.33105 3.33267 3.33095 3.32539 3.31538 3.30017 3.27889 3.2505 3.21377 3.1672 3.10901 3.03703 2.94862 2.84053 2.70873 2.54822 2.35266 2.11401 1.82192 1.46289 1.01911 0.466655 -0.227189 -1.10801 -2.24096 -3.72168 -5.69527 -8.39066 -12.187 -17.7513 -26.3527 -40.6751 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6725282099989398e-19 2.4009578166470396e-19 2.9090881361201395e-19 3.30098054079654e-19 3.61814742726318e-19 3.88209000594834e-19 4.10559364639134e-19 4.2970537541543396e-19 4.46228623041876e-19 4.605520821498359e-19 4.729977902427479e-19 4.83814084698882e-19 4.93199635420854e-19 5.013162622486979e-19 5.08296945843036e-19 5.1425063421498e-19 5.19275060139204e-19 5.2344712809414e-19 5.26837333851684e-19 5.29508162300562e-19 5.315092809164279e-19 5.328919593515699e-19 5.336930476685699e-19 5.339526002832779e-19 5.3367702590223e-19 5.32786215693726e-19 5.31182436883092e-19 5.28745526222778e-19 5.25336094345626e-19 5.207875148817e-19 5.149027201050179e-19 5.074413835204799e-19 4.981183176872339e-19 4.86585850275702e-19 4.724210066545079e-19 4.55103079417602e-19 4.33986391381482e-19 4.08269854229148e-19 3.7693768797464403e-19 3.3870174260423395e-19 2.9190376530172797e-19 2.3438081761122597e-19 1.63279422947574e-19 7.4766373713927e-20 -3.6399690730182595e-20 -1.7752277322383397e-19 -3.5904137497286394e-19 -5.962788735225119e-19 -9.124828518321178e-19 -1.344331939583844e-18 -1.9525726638558e-18 -2.84407180831242e-18 -4.22216801828118e-18 -6.516869480561339e-18 ] } }