{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.17007 7.622644 7.283372 7.036872 6.843154 6.683551 6.547829 6.429762 6.325282 6.231581 6.146642 6.068965 5.997407 5.931072 5.86925 5.811366 5.756948 5.705605 5.657007 5.610875 5.566972 5.525092 5.485056 5.44671 5.407944 5.367995 5.326789 5.284244 5.240271 5.194769 5.14763 5.098731 5.047934 4.995088 4.940019 4.882533 4.822407 4.759388 4.693182 4.62345 4.549795 4.47175 4.388758 4.300148 4.205106 4.102623 3.991434 3.869922 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.170070000000001e-10 7.622644000000001e-10 7.283372e-10 7.036872e-10 6.843154000000001e-10 6.683550999999999e-10 6.547829000000001e-10 6.429762e-10 6.325282e-10 6.231581000000001e-10 6.146642e-10 6.068965000000001e-10 5.997407000000001e-10 5.931072000000001e-10 5.86925e-10 5.811366e-10 5.756948000000001e-10 5.705605e-10 5.657007e-10 5.610875e-10 5.566972e-10 5.525092e-10 5.485056e-10 5.446710000000001e-10 5.407944e-10 5.367995e-10 5.326789e-10 5.284244000000001e-10 5.240271e-10 5.194769e-10 5.14763e-10 5.098731e-10 5.047934e-10 4.995088e-10 4.940019e-10 4.882533e-10 4.822407e-10 4.759388e-10 4.693182e-10 4.62345e-10 4.5497949999999996e-10 4.47175e-10 4.3887580000000004e-10 4.3001480000000003e-10 4.205106e-10 4.1026230000000005e-10 3.9914340000000003e-10 3.869922e-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" [ 0.576749 0.884555 1.19932 1.57067 1.97328 2.32995 2.61929 2.85595 3.05718 3.23547 3.39881 3.55157 3.69518 3.82889 3.95083 4.05908 4.15241 4.23049 4.29376 4.34302 4.37939 4.40403 4.41806 4.42251 4.4179 4.4034 4.37793 4.34029 4.28912 4.22285 4.13961 4.03715 3.91272 3.76276 3.58283 3.36541 3.0916 2.74385 2.30086 1.73511 1.00987 0.0749198 -1.13868 -2.72633 -4.82808 -7.67049 -11.6363 -17.3366 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.240537714828658e-20 1.4172133524878698e-19 1.92152248068888e-19 2.51649077372478e-19 3.1615431083395197e-19 3.7329914483883002e-19 4.1965652356698595e-19 4.5757363578723e-19 4.89814236193212e-19 5.183794434007979e-19 5.44549396540554e-19 5.69024246801538e-19 5.92033105442412e-19 6.134558092156259e-19 6.32992751090622e-19 6.503363131536719e-19 6.652894276787939e-19 6.777992228370659e-19 6.879361944003839e-19 6.95828516499468e-19 7.016556329173259e-19 7.056033961435019e-19 7.078512499610039e-19 7.08564218563134e-19 7.0782561513486e-19 7.055024590155601e-19 7.01421715128762e-19 6.95391122278386e-19 6.871927844422079e-19 6.7657515988869e-19 6.632386415872739e-19 6.468227397953099e-19 6.26886855938448e-19 6.02860615134984e-19 5.74032650959422e-19 5.391981265829939e-19 4.9532892816744e-19 4.3961323572009e-19 3.68638413010524e-19 2.7799526994197395e-19 1.6179901173775799e-19 1.2003475298395318e-20 -1.8243664896031198e-19 -4.36806222257322e-19 -7.735436963082719e-19 -1.228947984933066e-18 -1.8643407966214198e-18 -2.77762954330044e-18 ] } }