{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 8.91288 8.315684 7.945566 7.676655 7.465324 7.291211 7.14315 7.014348 6.900369 6.798149 6.705488 6.620749 6.542684 6.470319 6.402876 6.33973 6.280364 6.224353 6.171336 6.121011 6.073116 6.027428 5.983753 5.94192 5.913441 5.883469 5.851837 5.818351 5.78278 5.744847 5.704217 5.660475 5.613105 5.561452 5.504661 5.441598 5.370704 5.289752 5.19541 5.082355 4.941277 4.75354 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.91288e-10 8.315684e-10 7.945566e-10 7.676655e-10 7.465324e-10 7.291211e-10 7.14315e-10 7.014348e-10 6.900369000000001e-10 6.798149000000001e-10 6.705488000000001e-10 6.620749e-10 6.542684000000001e-10 6.470319e-10 6.402876e-10 6.339730000000001e-10 6.280364e-10 6.224353e-10 6.171336e-10 6.121011e-10 6.073116e-10 6.027428e-10 5.983753e-10 5.94192e-10 5.913441e-10 5.883469e-10 5.851837e-10 5.818351e-10 5.78278e-10 5.744847e-10 5.704217e-10 5.660475000000001e-10 5.613105000000001e-10 5.561452e-10 5.504661e-10 5.441598e-10 5.370704e-10 5.289752e-10 5.19541e-10 5.082355e-10 4.941277e-10 4.753540000000001e-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" [ 0.401274 0.579449 0.722368 0.845948 0.959236 1.06826 1.17374 1.2722 1.36034 1.43726 1.50381 1.56139 1.61137 1.65492 1.69296 1.72621 1.75519 1.78024 1.80151 1.81904 1.83279 1.84268 1.84863 1.85061 1.84964 1.84637 1.84026 1.83059 1.81646 1.7967 1.76982 1.73381 1.68595 1.62253 1.53837 1.42607 1.27473 1.0678 0.777616 0.348545 -0.336883 -1.58212 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.429118213348993e-20 9.283796407459392e-20 1.1573611212140545e-19 1.3553581080125185e-19 1.5368654930297088e-19 1.711541196935808e-19 1.880538786897792e-19 2.0382890969817601e-19 2.1795049443390724e-19 2.302744370011008e-19 2.4093692241252484e-19 2.5016225539509124e-19 2.581699341458496e-19 2.651474133294336e-19 2.712420931949568e-19 2.7656933045911684e-19 2.8121243830619523e-19 2.8522589074129924e-19 2.8863372041374083e-19 2.914423360300032e-19 2.936453288836032e-19 2.9522988156157445e-19 2.961831766509504e-19 2.9650040762186885e-19 2.963449964896512e-19 2.958210847346496e-19 2.948421548193408e-19 2.932928500270272e-19 2.910289744618368e-19 2.87863073459136e-19 2.8355642270242562e-19 2.7778698469092483e-19 2.70118967383776e-19 2.599579632546624e-19 2.4647404481400963e-19 2.284816013624256e-19 2.042342603832384e-19 1.71080419569024e-19 1.245878175160013e-19 5.58430650296736e-20 -5.397460665449664e-20 -2.534835675300096e-19 ] } }