{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.1859 9.503411 9.080432 8.773115 8.531601 8.33262 8.163412 8.016215 7.885957 7.769138 7.663242 7.566401 7.477187 7.394486 7.317411 7.245246 7.177402 7.113391 7.052802 6.995289 6.940554 6.888341 6.838427 6.79062 6.758074 6.72382 6.68767 6.649401 6.608749 6.565399 6.518965 6.468975 6.41484 6.355808 6.290906 6.218836 6.137815 6.0453 5.937484 5.80828 5.647052 5.4325 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01859e-09 9.503411e-10 9.080432000000001e-10 8.773115000000001e-10 8.531601e-10 8.332620000000001e-10 8.163412e-10 8.016215000000001e-10 7.885957e-10 7.769138e-10 7.663242000000001e-10 7.566401e-10 7.477187e-10 7.394486e-10 7.317411e-10 7.245246e-10 7.177402e-10 7.113391000000001e-10 7.052802e-10 6.995289e-10 6.940554e-10 6.888341e-10 6.838427e-10 6.790619999999999e-10 6.758074e-10 6.72382e-10 6.68767e-10 6.649401e-10 6.608749e-10 6.565399000000001e-10 6.518965e-10 6.468975e-10 6.41484e-10 6.355808e-10 6.290906e-10 6.218835999999999e-10 6.137815e-10 6.045300000000001e-10 5.937484e-10 5.80828e-10 5.647052e-10 5.432500000000001e-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" [ 0.487887 0.571783 0.601535 0.630906 0.677331 0.732248 0.770196 0.799387 0.830146 0.85711 0.877052 0.890565 0.899404 0.906611 0.914467 0.924337 0.937094 0.95254 0.968949 0.984415 0.997377 1.00674 1.01211 1.0138 1.01303 1.0106 1.00636 1.00016 0.9918 0.980974 0.967299 0.950256 0.929165 0.903137 0.870913 0.830609 0.779616 0.714095 0.626993 0.501134 0.295105 -0.0812388 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.81681151432358e-20 9.16097362318422e-20 9.6376532153319e-20 1.0108228514504039e-19 1.085203901683854e-19 1.173190635893232e-19 1.2339900348002638e-19 1.2807591729233578e-19 1.330040524008564e-19 1.37324161476774e-19 1.405192221202968e-19 1.42684243405821e-19 1.441004073326136e-19 1.4525509603273738e-19 1.4651376599640779e-19 1.4809511433416578e-19 1.5013901106615958e-19 1.52613733095036e-19 1.5524274473376658e-19 1.57720671115911e-19 1.597974124689018e-19 1.6129753045131597e-19 1.62157899303774e-19 1.6242866715492e-19 1.62305299554102e-19 1.6191597063203999e-19 1.6123664773922397e-19 1.6024329822614397e-19 1.5890387856011999e-19 1.571693621361516e-19 1.549783855891566e-19 1.522477959518304e-19 1.48868645213061e-19 1.446984998700858e-19 1.395356458846842e-19 1.330782331790106e-19 1.2490825386925438e-19 1.1441063234562299e-19 1.004553534281562e-19 8.029051853029558e-20 4.7281033557656996e-20 -1.3015890713419919e-20 ] } }