{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.0624 5.656197 5.404448 5.22154 5.077795 4.959367 4.858657 4.771049 4.693522 4.623993 4.560967 4.503329 4.45023 4.401008 4.355135 4.312184 4.271804 4.233706 4.197645 4.163415 4.130837 4.099761 4.070054 4.0416 4.022229 4.001842 3.980327 3.95755 3.933355 3.907554 3.879917 3.850165 3.817945 3.782811 3.744182 3.701288 3.653066 3.598004 3.533834 3.456935 3.360976 3.23328 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.062400000000001e-10 5.656197e-10 5.404448e-10 5.22154e-10 5.077795e-10 4.959367e-10 4.858657e-10 4.771048999999999e-10 4.693522e-10 4.6239929999999996e-10 4.560967e-10 4.5033290000000003e-10 4.4502300000000006e-10 4.401008e-10 4.355135e-10 4.3121840000000004e-10 4.2718040000000004e-10 4.233706e-10 4.197645e-10 4.163415e-10 4.130837e-10 4.099761e-10 4.070054e-10 4.0416e-10 4.0222290000000003e-10 4.001842e-10 3.980327e-10 3.95755e-10 3.933355e-10 3.9075540000000004e-10 3.879917e-10 3.850165e-10 3.817945e-10 3.7828110000000005e-10 3.744182e-10 3.701288e-10 3.653066e-10 3.598004e-10 3.533834e-10 3.456935e-10 3.360976e-10 3.2332800000000004e-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" [ 0 0.0313822 0.77232 1.53846 2.05632 2.37277 2.54819 2.67175 2.77946 2.87364 2.95609 3.02824 3.09123 3.146 3.19334 3.23392 3.2683 3.29697 3.32036 3.33884 3.35274 3.36237 3.36797 3.36979 3.36772 3.36078 3.34796 3.32807 3.29969 3.26115 3.21046 3.14519 3.06235 2.95811 2.82741 2.66328 2.45557 2.18887 1.83843 1.36212 0.647419 -0.787866 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.0279827563514794e-21 1.23739305797088e-19 2.4648846643436395e-19 3.2945878560268796e-19 3.80159665185618e-19 4.08265047699246e-19 4.2806154218894997e-19 4.453185867137639e-19 4.60407886252776e-19 4.7361783260010595e-19 4.85177537014416e-19 4.95269647631982e-19 5.040447690563999e-19 5.116294732417559e-19 5.181311060225279e-19 5.2363938929022e-19 5.28232829699898e-19 5.319803208468239e-19 5.34941143266456e-19 5.371681687877159e-19 5.38711064886258e-19 5.396082838012979e-19 5.39899879948686e-19 5.395682293854479e-19 5.38456318801452e-19 5.36402328356664e-19 5.3321559903163795e-19 5.286686217443459e-19 5.2249383299691e-19 5.14372399639164e-19 5.03914992749046e-19 4.906425615129899e-19 4.73941472280174e-19 4.53001023673794e-19 4.2670449857995194e-19 3.934256877151379e-19 3.50695636886358e-19 2.94548958924462e-19 2.18235683670408e-19 1.0372795942076459e-19 -1.2623004959230437e-19 ] } }