{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 6.79752 6.342061 6.059786 5.854698 5.693523 5.560734 5.447813 5.349581 5.262653 5.184694 5.114024 5.049397 4.98986 4.93467 4.883234 4.835075 4.789799 4.747081 4.706647 4.668266 4.631738 4.596894 4.563584 4.53168 4.499426 4.466188 4.431905 4.396507 4.359921 4.322064 4.282844 4.24216 4.199897 4.155928 4.110111 4.062282 4.012257 3.959825 3.904741 3.846724 3.785443 3.720509 3.651459 3.577735 3.49866 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.79752e-10 6.342061e-10 6.059786e-10 5.854698e-10 5.693523e-10 5.560734000000001e-10 5.447813000000001e-10 5.349581e-10 5.262653e-10 5.184694000000001e-10 5.114024e-10 5.049397e-10 4.98986e-10 4.93467e-10 4.883234e-10 4.835074999999999e-10 4.789799e-10 4.747081e-10 4.706647000000001e-10 4.668266e-10 4.6317380000000004e-10 4.596894e-10 4.5635839999999997e-10 4.53168e-10 4.499426e-10 4.466188e-10 4.4319050000000005e-10 4.396507e-10 4.359921e-10 4.3220640000000004e-10 4.282844e-10 4.2421600000000003e-10 4.199897e-10 4.155928e-10 4.110111e-10 4.062282e-10 4.012257e-10 3.959825e-10 3.904741e-10 3.846724e-10 3.785443e-10 3.720509e-10 3.651459e-10 3.5777350000000003e-10 3.49866e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.49047 2.25461 2.88195 3.39655 3.83329 4.20912 4.5384 4.83059 5.09086 5.32051 5.51938 5.68864 5.83024 5.94754 6.04379 6.12196 6.18469 6.23434 6.27302 6.30265 6.32474 6.34 6.34888 6.35177 6.34917 6.33938 6.32159 6.29452 6.25631 6.20459 6.13681 6.04991 5.94023 5.80325 5.63339 5.42296 5.16205 4.83734 4.43147 3.92252 3.28371 2.47785 1.45637 0.150524 -1.53674 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3879962076779795e-19 3.61228346078274e-19 4.617392950356299e-19 5.4418730462127e-19 6.141607669345859e-19 6.7437537137020805e-19 7.2713184357456e-19 7.739458426434059e-19 8.15645693896524e-19 8.524396802963338e-19 8.84302167016692e-19 9.11420608723776e-19 9.341074298612159e-19 9.52900961778036e-19 9.68321911880286e-19 9.808461266282638e-19 9.908965806533458e-19 9.98851387641156e-19 1.005048606861468e-18 1.0097958562280099e-18 1.013335064412516e-18 1.015779985956e-18 1.017202718806992e-18 1.017665747854218e-18 1.0172491819293779e-18 1.015680651004692e-18 1.0128303787728058e-18 1.008493286624568e-18 1.002371369706054e-18 9.940849121550059e-19 9.832253589297538e-19 9.69302443980294e-19 9.51729770658582e-19 9.2978315512605e-19 9.02568582820926e-19 8.68853979911664e-19 8.2705158935397e-19 7.75027311871356e-19 7.09999768827198e-19 6.28456989039768e-19 5.26108343483214e-19 3.9699533725569e-19 2.33336198445858e-19 2.4116603565621598e-20 -2.46212892053316e-19 ] } }