{ "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" [ 8.145 7.599255 7.261024 7.015281 6.822157 6.663044 6.527739 6.410034 6.305875 6.212461 6.127783 6.050345 5.979006 5.912875 5.851243 5.793537 5.739286 5.6881 5.639651 5.593661 5.549893 5.508141 5.468229 5.43 5.391352 5.351526 5.310446 5.268032 5.224194 5.178832 5.131837 5.083088 5.032447 4.979763 4.924863 4.867553 4.807612 4.744785 4.678782 4.609264 4.535835 4.458029 4.375292 4.286954 4.192203 4.090034 3.979186 3.858046 3.724507 3.575737 3.407809 3.21505 2.988819 2.715 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.145e-10 7.599255000000001e-10 7.261024e-10 7.015281e-10 6.822157e-10 6.663044e-10 6.527739e-10 6.410034e-10 6.305875e-10 6.212461e-10 6.127783e-10 6.050345e-10 5.979006000000001e-10 5.912875e-10 5.851243000000001e-10 5.793537e-10 5.739286e-10 5.6881e-10 5.639651e-10 5.593661e-10 5.549893e-10 5.508141e-10 5.468229e-10 5.43e-10 5.391352000000001e-10 5.351526e-10 5.310446e-10 5.268032e-10 5.224194e-10 5.178832e-10 5.131837e-10 5.083088e-10 5.032447000000001e-10 4.979763e-10 4.924863000000001e-10 4.867553e-10 4.807612e-10 4.744785e-10 4.678782e-10 4.6092639999999997e-10 4.535835e-10 4.458029e-10 4.375292e-10 4.286954e-10 4.192203e-10 4.0900340000000003e-10 3.9791860000000003e-10 3.858046e-10 3.724507e-10 3.5757370000000003e-10 3.407809e-10 3.21505e-10 2.988819e-10 2.715e-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" [ 1.85634 2.36171 2.71923 2.99929 3.22995 3.42552 3.59438 3.74193 3.87181 3.98666 4.08843 4.1786 4.25835 4.32862 4.39017 4.44362 4.48952 4.5283 4.56036 4.58602 4.60557 4.61927 4.62735 4.63 4.62714 4.61792 4.60126 4.57587 4.54025 4.49257 4.43069 4.352 4.25335 4.13092 3.98003 3.79491 3.56839 3.2915 2.95289 2.53808 2.02835 1.39923 0.618278 -0.358267 -1.59068 -3.16541 -5.21085 -7.92405 -11.6186 -16.8138 -24.4106 -36.0559 -54.9692 -88.0801 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.97418457275956e-19 3.78387657828414e-19 4.35668676847182e-19 4.80539235658986e-19 5.1749504189883e-19 5.48828810329968e-19 5.7588316497169195e-19 5.99523281206362e-19 6.203323513287539e-19 6.38733349970244e-19 6.550387015744619e-19 6.6948552828324e-19 6.8226288693939e-19 6.93521382146508e-19 7.03382779328778e-19 7.119464134375079e-19 7.193004041875679e-19 7.255136451742199e-19 7.30650223462824e-19 7.34761408705668e-19 7.37893664025138e-19 7.40088646013718e-19 7.4138320473399e-19 7.418077815419999e-19 7.413495590246759e-19 7.39872352168128e-19 7.372031258958839e-19 7.331351994221579e-19 7.2742824625185e-19 7.197890680609379e-19 7.09874799049746e-19 6.972672711168e-19 6.8146179862239e-19 6.618463500923279e-19 6.37671106861902e-19 6.0801161301329395e-19 5.717191078999259e-19 5.273564390811e-19 4.73105136077226e-19 4.0664524712227194e-19 3.2497749755739e-19 2.24181361159182e-19 9.905905649162519e-20 -5.74007016133278e-20 -2.54855032817112e-19 -5.07154593902994e-19 -8.348702113278899e-19 -1.26957277566477e-18 -1.86150494397924e-18 -2.6938677488749198e-18 -3.9110092941920395e-18 -5.7767920497840596e-18 -8.80703678296728e-18 -1.411198781403834e-17 ] } }