{ "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" [ "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" [ 8.1837 7.635362 7.295524 7.048613 6.854572 6.694703 6.558755 6.440491 6.335836 6.241979 6.156899 6.079093 6.007415 5.940969 5.879045 5.821064 5.766556 5.715126 5.666447 5.620239 5.576263 5.534313 5.49421 5.4558 5.429651 5.40213 5.373086 5.34234 5.309679 5.274849 5.237543 5.197379 5.153885 5.106457 5.054313 4.996409 4.931314 4.856985 4.770361 4.666555 4.537018 4.36464 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1837e-10 7.635362e-10 7.295524000000001e-10 7.048613e-10 6.854572000000001e-10 6.694703e-10 6.558755e-10 6.440491e-10 6.335836e-10 6.241979e-10 6.156899e-10 6.079093e-10 6.007415e-10 5.940969e-10 5.879045e-10 5.821064e-10 5.766556e-10 5.715126e-10 5.666447e-10 5.620239e-10 5.576263e-10 5.534313e-10 5.49421e-10 5.4558e-10 5.429651e-10 5.40213e-10 5.373086e-10 5.342340000000001e-10 5.309679e-10 5.274849e-10 5.237543e-10 5.197379e-10 5.153885e-10 5.106457e-10 5.054313e-10 4.996409e-10 4.931314000000001e-10 4.856985e-10 4.770361e-10 4.666555e-10 4.537018e-10 4.36464e-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" [ 1.04391 1.49856 1.81571 2.06031 2.25827 2.42301 2.56251 2.68201 2.78514 2.87454 2.95222 3.01973 3.07831 3.12897 3.17254 3.2097 3.24106 3.2671 3.28826 3.30493 3.31742 3.32605 3.33105 3.33267 3.33189 3.32935 3.32464 3.3173 3.30671 3.29208 3.27237 3.24622 3.21175 3.16638 3.10645 3.02657 2.91854 2.76926 2.55648 2.23931 1.73349 0.833171 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6725282099989398e-19 2.4009578166470396e-19 2.9090881361201395e-19 3.30098054079654e-19 3.61814742726318e-19 3.88209000594834e-19 4.10559364639134e-19 4.2970537541543396e-19 4.46228623041876e-19 4.605520821498359e-19 4.729977902427479e-19 4.83814084698882e-19 4.93199635420854e-19 5.013162622486979e-19 5.08296945843036e-19 5.1425063421498e-19 5.19275060139204e-19 5.2344712809414e-19 5.26837333851684e-19 5.29508162300562e-19 5.315092809164279e-19 5.328919593515699e-19 5.336930476685699e-19 5.339526002832779e-19 5.33827630505826e-19 5.334206776407899e-19 5.326660524461759e-19 5.314900547968199e-19 5.29793349741414e-19 5.274493653258719e-19 5.24291475180258e-19 5.2010178328234795e-19 5.145790804249499e-19 5.07310005036492e-19 4.9770816046893e-19 4.84909973516538e-19 4.67601659339436e-19 4.43684366547084e-19 4.09593252128832e-19 3.58777015828254e-19 2.7773571732726597e-19 1.3348871083264138e-19 ] } }