{ "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 1.921057833637824e-20 1.424120324224013e-19 2.9298042558597123e-19 4.206338478482112e-19 5.12408126864256e-19 5.688864549240768e-19 5.979403257656641e-19 6.212327694788544e-19 6.4200178501428485e-19 6.604556553326592e-19 6.767674155090241e-19 6.910876701457345e-19 7.035413890192129e-19 7.142423266695361e-19 7.232834093407104e-19 7.307543589235008e-19 7.36728875542464e-19 7.412758527922945e-19 7.444577755612033e-19 7.463307200309184e-19 7.469443536766849e-19 7.466447466485953e-19 7.456578058501824e-19 7.43818507089504e-19 7.409201695824769e-19 7.366920254801856e-19 7.307848002792961e-19 7.227258518766721e-19 7.118855248603393e-19 6.973906329719616e-19 6.780058980369024e-19 6.519432909463489e-19 6.165207680370816e-19 5.675454330924672e-19 4.981423462326529e-19 3.9626954797570563e-19 2.389694495221824e-19 -2.313350779240704e-20 -5.175078550482624e-19 ] } }