{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.17563 7.627833 7.28833 7.041663 6.847812 6.688101 6.552287 6.43414 6.329588 6.235824 6.150827 6.073098 6.001491 5.935111 5.873247 5.815324 5.760869 5.709491 5.66086 5.614697 5.570764 5.528855 5.488793 5.45042 5.424297 5.396804 5.367788 5.337072 5.304444 5.269649 5.232379 5.192255 5.148804 5.101423 5.04933 4.991484 4.926453 4.852198 4.76566 4.661956 4.532548 4.36034 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17563e-10 7.627833e-10 7.288330000000001e-10 7.041663e-10 6.847812000000001e-10 6.688101e-10 6.552287e-10 6.434140000000001e-10 6.329588000000001e-10 6.235824000000001e-10 6.150826999999999e-10 6.073098e-10 6.001491e-10 5.935111e-10 5.873247e-10 5.815324000000001e-10 5.760869e-10 5.709491e-10 5.66086e-10 5.614696999999999e-10 5.570764e-10 5.528855000000001e-10 5.488793000000001e-10 5.45042e-10 5.424297000000001e-10 5.396804000000001e-10 5.367788e-10 5.337072e-10 5.304444e-10 5.269649e-10 5.232379e-10 5.192255000000001e-10 5.148804e-10 5.101423e-10 5.049330000000001e-10 4.991484e-10 4.926453000000001e-10 4.852197999999999e-10 4.76566e-10 4.661956e-10 4.5325480000000004e-10 4.3603400000000003e-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 1.02105 1.23843 1.41394 1.56055 1.68549 1.79334 1.88718 1.96926 2.04124 2.10442 2.15984 2.20832 2.25057 2.28715 2.31856 2.34521 2.36746 2.38565 2.40004 2.41087 2.41838 2.42276 2.42418 2.4235 2.42124 2.41708 2.41055 2.40111 2.38802 2.37033 2.34677 2.31558 2.27435 2.21962 2.14628 2.43926 2.33102 2.16989 1.91975 1.50462 0.734287 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.6359024386678402e-19 1.984183592497344e-19 2.265381611213952e-19 2.50027672558944e-19 2.700452672592192e-19 2.873247421145472e-19 3.023595675241344e-19 3.155102332276608e-19 3.2704270054417924e-19 3.3716525243439364e-19 3.460445152668672e-19 3.5381186752450564e-19 3.6058106374738566e-19 3.6644182582627203e-19 3.7147426259220487e-19 3.757440632866368e-19 3.793089062679168e-19 3.8222326554115205e-19 3.8452879769848323e-19 3.862639549788096e-19 3.874671896210304e-19 3.881689429809408e-19 3.883964520610944e-19 3.8828750405088007e-19 3.879254121345792e-19 3.872589066603264e-19 3.8621268532694405e-19 3.8470023059690883e-19 3.8260298140028165e-19 3.797687309580864e-19 3.759940028394816e-19 3.7099681395920644e-19 3.64391039751648e-19 3.556223271060096e-19 3.438719637690624e-19 3.908125344052608e-19 3.7347057466172163e-19 3.4765470277077124e-19 3.0757785677808e-19 2.4106669871880963e-19 1.1764574643573698e-19 ] } }