{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.22292 8.60495 8.221956 7.943691 7.725009 7.544839 7.391626 7.258345 7.1404 7.034624 6.93874 6.851053 6.770273 6.69539 6.625601 6.560258 6.498828 6.440868 6.386007 6.333931 6.28437 6.237093 6.191898 6.14861 6.104848 6.059751 6.013234 5.965207 5.915567 5.864202 5.810987 5.755786 5.698444 5.638787 5.576622 5.511727 5.443853 5.372712 5.297974 5.219256 5.136109 5.048006 4.954319 4.85429 4.746999 4.631309 4.505791 4.36862 4.217408 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.22292e-10 8.60495e-10 8.221956000000001e-10 7.943691e-10 7.725009e-10 7.544839e-10 7.391626e-10 7.258345000000001e-10 7.140399999999999e-10 7.034624e-10 6.93874e-10 6.851053000000001e-10 6.770273000000001e-10 6.69539e-10 6.625601e-10 6.560258000000001e-10 6.498828e-10 6.440868e-10 6.386007000000001e-10 6.333931e-10 6.28437e-10 6.237093e-10 6.191898e-10 6.14861e-10 6.104848e-10 6.059751000000001e-10 6.013234e-10 5.965207e-10 5.915567000000001e-10 5.864202e-10 5.810987e-10 5.755786e-10 5.698444e-10 5.638787e-10 5.576622000000001e-10 5.511727e-10 5.443853e-10 5.372712e-10 5.297974e-10 5.219256e-10 5.136109e-10 5.048006e-10 4.954319e-10 4.85429e-10 4.746999e-10 4.631309e-10 4.5057910000000003e-10 4.36862e-10 4.217408e-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" [ 2.70502 3.35619 3.73391 3.99408 4.1575 4.26058 4.33013 4.38186 4.42669 4.46978 4.51042 4.54687 4.57798 4.60338 4.62331 4.63846 4.64966 4.65775 4.66346 4.66741 4.67005 4.67173 4.67265 4.67294 4.67262 4.67159 4.66976 4.66715 4.66386 4.65963 4.65333 4.64236 4.6211 4.5777 4.49718 4.36327 4.15399 3.83631 3.36014 2.7392 1.97158 1.00636 -0.22972 -1.83978 -3.96105 -6.81731 -10.809 -16.7499 -26.4668 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.33391983850268e-19 5.377209197264459e-19 5.982383355458939e-19 6.399221650326719e-19 6.661049355854999e-19 6.82620172328772e-19 6.937633108182419e-19 7.020513705459239e-19 7.0923392839614595e-19 7.161377075120519e-19 7.226489533526279e-19 7.28488887183558e-19 7.33473258691932e-19 7.375427873422919e-19 7.40735925373854e-19 7.43163222974364e-19 7.449576608044439e-19 7.4625382170135e-19 7.471686645593639e-19 7.47801524329794e-19 7.482244989611699e-19 7.48493664635682e-19 7.486410648860099e-19 7.486875280083959e-19 7.48636258356108e-19 7.48471234162806e-19 7.481780358387839e-19 7.4775986773731e-19 7.472327516247239e-19 7.4655503090854195e-19 7.45545659629122e-19 7.437880718616239e-19 7.4038184433774e-19 7.3342839774618e-19 7.2052767148921195e-19 6.990729241833179e-19 6.65542571586966e-19 6.14644624278054e-19 5.38353779496876e-19 4.3886822358528e-19 3.15881940806172e-19 1.6123664773922397e-19 -3.6805201636248e-20 -2.9476525277005197e-19 -6.3463017561057e-19 -1.092253478873454e-18 -1.7317927236905998e-18 -2.6836298401836597e-18 -4.24044885367512e-18 ] } }