{ "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" [ 8.71391 8.130045 7.768189 7.505281 7.298668 7.128441 6.983685 6.857759 6.746324 6.646386 6.555793 6.472946 6.396624 6.325873 6.259936 6.1982 6.140159 6.085398 6.033565 5.984363 5.937537 5.892869 5.850169 5.80927 5.781427 5.752124 5.721198 5.688459 5.653683 5.616597 5.576873 5.534108 5.487796 5.437295 5.381773 5.320118 5.250806 5.171661 5.079426 4.968894 4.830966 4.64742 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.71391e-10 8.130045000000001e-10 7.768189e-10 7.505281e-10 7.298668e-10 7.128441e-10 6.983685000000001e-10 6.857759e-10 6.746324e-10 6.646386e-10 6.555793000000001e-10 6.472946000000001e-10 6.396624e-10 6.325873e-10 6.259936e-10 6.1982e-10 6.140159e-10 6.085398e-10 6.033565000000001e-10 5.984363e-10 5.937537e-10 5.892869000000001e-10 5.850169000000001e-10 5.80927e-10 5.781427e-10 5.752124000000001e-10 5.721198e-10 5.688459e-10 5.653683000000001e-10 5.616597e-10 5.576873e-10 5.534108e-10 5.487796e-10 5.437295e-10 5.381773e-10 5.320118e-10 5.250806e-10 5.171661000000001e-10 5.079426e-10 4.968893999999999e-10 4.830966000000001e-10 4.6474200000000006e-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 0 0 0.119903 0.888866 1.82864 2.62539 3.1982 3.55071 3.73205 3.87743 4.00706 4.12224 4.22405 4.31343 4.39116 4.45795 4.51438 4.56101 4.5983 4.62668 4.64654 4.65823 4.66206 4.66019 4.65403 4.64255 4.62446 4.59807 4.5612 4.5109 4.44324 4.35277 4.23178 4.06911 3.84802 3.54234 3.10916 2.47332 1.49153 -0.144388 -3.23003 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.9210578494650197e-20 1.424120335957044e-19 2.9298042799977597e-19 4.2063385131372594e-19 5.124081310858799e-19 5.68886459611014e-19 5.979403306919699e-19 6.21232774597062e-19 6.42001790303604e-19 6.604556607740159e-19 6.7676742108477e-19 6.91087675839462e-19 7.03541394815544e-19 7.1424233255403e-19 7.232834152996919e-19 7.307543649440339e-19 7.367288816122199e-19 7.41275858899512e-19 7.444577816946359e-19 7.463307261797819e-19 7.46944359830604e-19 7.466447528000459e-19 7.456578119935019e-19 7.4381851321767e-19 7.409201756867639e-19 7.366920315496379e-19 7.3078480630008e-19 7.2272585783106e-19 7.11885530725416e-19 6.973906387176179e-19 6.780059036228519e-19 6.51943296317574e-19 6.16520773116468e-19 5.675454377683559e-19 4.98142350336744e-19 3.96269551240488e-19 2.38969451491002e-19 -2.3133507982999195e-20 -5.17507859311902e-19 ] } }