{ "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" [ 8.15034 7.604237 7.265784 7.01988 6.82663 6.667413 6.532019 6.414237 6.310009 6.216534 6.131801 6.054312 5.982926 5.916752 5.855079 5.797335 5.743049 5.691829 5.643349 5.597329 5.553532 5.511753 5.471814 5.43356 5.407518 5.380109 5.351184 5.320562 5.288035 5.253347 5.216193 5.176193 5.132876 5.085642 5.03371 4.976043 4.911213 4.837187 4.750917 4.647534 4.518525 4.34685 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.150340000000001e-10 7.604237000000001e-10 7.265784e-10 7.01988e-10 6.82663e-10 6.667413e-10 6.532019000000001e-10 6.414237e-10 6.310009000000001e-10 6.216534000000001e-10 6.131801000000001e-10 6.054312e-10 5.982926e-10 5.916752e-10 5.855079e-10 5.797335000000001e-10 5.743049e-10 5.691829000000001e-10 5.643349e-10 5.597329000000001e-10 5.553532e-10 5.511753e-10 5.471814e-10 5.43356e-10 5.407518e-10 5.380109000000001e-10 5.351184e-10 5.320561999999999e-10 5.288035e-10 5.253347e-10 5.216193e-10 5.176193e-10 5.132876000000001e-10 5.085642e-10 5.03371e-10 4.976043e-10 4.911213000000001e-10 4.837187000000001e-10 4.750917000000001e-10 4.647534e-10 4.5185250000000007e-10 4.34685e-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 0 0.00309622 0.177095 0.762761 1.5985 2.40582 3.04045 3.48792 3.78719 3.9852 4.12074 4.22076 4.30135 4.3701 4.42927 4.47962 4.5218 4.55635 4.58377 4.60447 4.61886 4.62726 4.63 4.62868 4.62432 4.61625 4.60359 4.58524 4.55973 4.52517 4.47899 4.4177 4.33639 4.22806 4.08226 3.88292 3.604 3.20062 2.58867 1.5911 -0.263073 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 4.9606912968533755e-22 2.8373746866057605e-20 1.2220778414580288e-19 2.5610793283488004e-19 3.854548557853056e-19 4.87133790671136e-19 5.588263879220737e-19 6.067747276527552e-19 6.38499426921216e-19 6.602153288395392e-19 6.762402994007809e-19 6.891522407878081e-19 7.00167205055808e-19 7.096472841210816e-19 7.177142434068096e-19 7.24472224393344e-19 7.300077446182081e-19 7.344009129124417e-19 7.377174185174976e-19 7.400229506748288e-19 7.413687790363008e-19 7.418077754304e-19 7.415962881164545e-19 7.408977391097857e-19 7.396047825768e-19 7.375764269748672e-19 7.346364328756992e-19 7.305492803160384e-19 7.250121579145537e-19 7.176133062796992e-19 7.07793565770816e-19 6.947662676670912e-19 6.774098883339648e-19 6.540501532027008e-19 6.2211236444367365e-19 5.7742445413632e-19 5.127958536064896e-19 4.1475065529663364e-19 2.54922322135488e-19 -4.214894101637184e-20 ] } }