{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 4.96753 4.634688 4.428406 4.27853 4.160747 4.063706 3.981185 3.909399 3.845874 3.788902 3.737258 3.69003 3.646521 3.606189 3.5686 3.533406 3.500319 3.469102 3.439553 3.411505 3.384811 3.359347 3.335005 3.31169 3.295817 3.279112 3.261482 3.242819 3.222994 3.201852 3.179207 3.154827 3.128426 3.099637 3.067985 3.032837 2.993324 2.948206 2.895625 2.832614 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.96753e-10 4.634688e-10 4.428406e-10 4.27853e-10 4.160747e-10 4.063706e-10 3.981185e-10 3.909399e-10 3.845874e-10 3.7889020000000003e-10 3.737258e-10 3.6900300000000004e-10 3.646521e-10 3.606189e-10 3.5686e-10 3.533406e-10 3.500319e-10 3.469102e-10 3.439553e-10 3.411505e-10 3.384811e-10 3.359347e-10 3.3350050000000004e-10 3.31169e-10 3.295817e-10 3.2791120000000003e-10 3.261482e-10 3.242819e-10 3.222994e-10 3.2018520000000003e-10 3.179207e-10 3.154827e-10 3.1284260000000003e-10 3.099637e-10 3.0679850000000005e-10 3.032837e-10 2.993324e-10 2.948206e-10 2.895625e-10 2.832614e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.12106 1.89051 2.37769 2.75241 3.0842 3.37145 3.59757 3.76177 3.87072 3.93888 3.97796 3.99661 4.00006 3.99071 3.97007 3.94239 3.91308 3.8874 3.86927 3.86119 3.86238 3.86901 3.87593 3.87899 3.87706 3.86996 3.85508 3.82889 3.78711 3.72441 3.63369 3.50523 3.32562 3.07592 2.73076 2.25758 1.61035 0.723556 -0.517044 -2.33387 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.796136122514048e-19 3.028930923388608e-19 3.809479329509952e-19 4.409846952856128e-19 4.941433133871361e-19 5.40165836819616e-19 5.763942545691456e-19 6.027019946826816e-19 6.201577089662976e-19 6.310781448136704e-19 6.373394510477569e-19 6.403275104455488e-19 6.408802613797249e-19 6.393822262392768e-19 6.360753336939457e-19 6.316405088075713e-19 6.269445291320064e-19 6.2283013956979205e-19 6.199253933562816e-19 6.186308346466753e-19 6.188214936645504e-19 6.198837367641408e-19 6.209924429857344e-19 6.214827090316992e-19 6.211734889438849e-19 6.200359435431168e-19 6.176519047313664e-19 6.134558041614913e-19 6.067619102397889e-19 5.967162628273728e-19 5.821813165234752e-19 5.615997556526784e-19 5.328230613664896e-19 4.928167111451136e-19 4.375159829015808e-19 3.6170418955856643e-19 2.58006512130528e-19 1.1592645070395647e-19 -8.283958087249152e-20 -3.7392719499864965e-19 ] } }