{ "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 6.742288 6.692482 6.641109 6.588067 6.533244 6.476515 6.417745 6.35678 6.29345 6.227565 6.158908 6.087238 6.012277 5.933708 5.851166 5.764228 5.6724 5.575098 5.471629 5.361156 5.242662 5.114892 4.976268 4.824774 4.657774 4.471726 4.261719 4.020659 3.737741 3.39531 ] "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 6.742288000000001e-10 6.692482e-10 6.641109000000001e-10 6.588067e-10 6.533244e-10 6.476515e-10 6.417745e-10 6.35678e-10 6.293450000000001e-10 6.227565e-10 6.158908000000001e-10 6.087238e-10 6.012277e-10 5.933708e-10 5.851166e-10 5.764228e-10 5.6724e-10 5.575098e-10 5.471629e-10 5.361156e-10 5.242662e-10 5.114892e-10 4.976268000000001e-10 4.824774e-10 4.657774e-10 4.4717260000000007e-10 4.261719e-10 4.020659e-10 3.7377410000000006e-10 3.3953099999999997e-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 1.01211 1.00702 0.998604 0.986874 0.971729 0.952978 0.930365 0.903591 0.872248 0.835745 0.793466 0.744774 0.688733 0.623698 0.546224 0.450848 0.33163 0.182405 -0.00339412 -0.232645 -0.507361 -0.849759 -1.27117 -1.78804 -2.4476 -3.35034 -4.73609 -6.95413 -10.7143 -18.9115 ] "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 1.62157899303774e-19 1.61342391397068e-19 1.599939995418936e-19 1.5811464635021159e-19 1.5568814983801857e-19 1.5268390843160518e-19 1.49060906409141e-19 1.4477123868926939e-19 1.397495364653232e-19 1.33901111098233e-19 1.271272685073444e-19 1.193259500410716e-19 1.103471919664722e-19 9.992743622725319e-20 8.75147329730016e-20 7.22338131085632e-20 5.313298371334199e-20 2.9224502892477e-20 -5.43797975699208e-22 -3.7273838301693e-20 -8.128819392028738e-20 -1.361464014331206e-19 -2.0366388718417798e-19 -2.86475590865736e-19 -3.9214875293783997e-19 -5.36783646395556e-19 -7.588052734521059e-19 -1.114174459579842e-18 -1.7166201109666198e-18 -3.0299563413890997e-18 ] } }