{ "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" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" ] } "a" { "source-value" [ 14.9224 13.922547 13.302878 12.852655 12.498835 12.207326 11.959435 11.74379 11.55296 11.381819 11.226681 11.084807 10.954108 10.83295 10.720035 10.614312 10.514919 10.421142 10.332379 10.248122 10.167934 10.091442 10.018318 9.94828 9.877474 9.804508 9.729246 9.651539 9.571223 9.488116 9.402017 9.312703 9.219925 9.123402 9.022821 8.917823 8.808005 8.692901 8.571977 8.444613 8.310085 8.167537 8.015953 7.85411 7.680517 7.493333 7.290249 7.06831 6.823653 6.551092 6.243432 5.890279 5.475803 4.97414 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.49224e-09 1.3922547e-09 1.3302878e-09 1.2852655e-09 1.2498835000000001e-09 1.2207326e-09 1.1959435e-09 1.1743790000000001e-09 1.155296e-09 1.1381819e-09 1.1226681e-09 1.1084807e-09 1.0954108e-09 1.083295e-09 1.0720034999999999e-09 1.0614312e-09 1.0514919e-09 1.0421142e-09 1.0332379e-09 1.0248122e-09 1.0167934e-09 1.0091442000000002e-09 1.0018318000000002e-09 9.948280000000002e-10 9.877474e-10 9.804508000000001e-10 9.729246e-10 9.651539e-10 9.571223e-10 9.488116e-10 9.402017e-10 9.312703000000001e-10 9.219925e-10 9.123402e-10 9.022821000000001e-10 8.917823000000001e-10 8.808005e-10 8.692901000000001e-10 8.571977000000001e-10 8.444613000000001e-10 8.310085000000002e-10 8.167536999999999e-10 8.015953e-10 7.854110000000001e-10 7.680517000000001e-10 7.493333000000001e-10 7.290249e-10 7.06831e-10 6.823653e-10 6.551092e-10 6.243432e-10 5.890278999999999e-10 5.475803e-10 4.974140000000001e-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 0.00080581 0.00558461 0.0158197 0.0309844 0.0495604 0.069973 0.0909684 0.111671 0.131521 0.150185 0.167484 0.183333 0.197705 0.210604 0.22205 0.23207 0.240692 0.247941 0.253839 0.258406 0.261656 0.2636 0.264247 0.263529 0.261155 0.256736 0.249788 0.239704 0.225722 0.20688 0.18195 0.149363 0.107094 0.0525101 -0.0178441 -0.108476 -0.225063 -0.375837 -0.571689 -0.827606 -1.16456 -1.61249 -2.21532 -3.03949 -4.18911 -5.83244 -8.25413 -11.9516 -17.838 -27.7116 -45.4599 -80.5106 -159.577 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.29104995344354e-22 8.94753165200274e-22 2.5345953696889798e-21 4.964248169850959e-21 7.940451485169359e-21 1.1210910561088198e-20 1.457474449123656e-20 1.78916666895414e-20 2.1071987308031398e-20 2.4062289777729e-20 2.6833895136885598e-20 2.9373184884112195e-20 3.1675833142496996e-20 3.37424807826936e-20 3.557633215797e-20 3.7181713145237994e-20 3.85631098390728e-20 3.9724527681059395e-20 4.0669491459792595e-20 4.14012055285404e-20 4.19219129345904e-20 4.2233376072239996e-20 4.23370369004598e-20 4.22220006181386e-20 4.1841643885227e-20 4.11336420306624e-20 4.0020449705359197e-20 3.8404814787633596e-20 3.61646514179748e-20 3.3145830204191996e-20 2.915160385563e-20 2.3930590858414197e-20 1.7158350444159598e-20 8.41304552690034e-21 -2.85894000747594e-21 -1.7379771254978398e-20 -3.60590679777942e-20 -6.021572595926579e-20 -9.15946757714826e-20 -1.3259709953582038e-19 -1.8658308208910399e-19 -2.58349380055866e-19 -3.54933394083288e-19 -4.869799857276659e-19 -6.71169415925574e-19 -9.344599087206959e-19 -1.322457421999842e-18 -1.91485742589144e-18 -2.8579626797292e-18 -4.4398878010754395e-18 -7.283478956397659e-18 -1.289922021093204e-17 -2.5567054072381798e-17 ] } }