{ "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" [ "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 6.74005 6.288442 6.008554 5.8052 5.645389 5.513722 5.401756 5.304355 5.218162 5.140862 5.07079 5.00671 4.947676 4.892952 4.841951 4.794199 4.749306 4.706949 4.666858 4.628801 4.592582 4.558032 4.525005 4.49337 4.471834 4.449168 4.425248 4.399925 4.373026 4.344341 4.313615 4.280537 4.244716 4.205654 4.162709 4.11502 4.061408 4.000191 3.928849 3.843354 3.736669 3.5947 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.74005e-10 6.288442e-10 6.008554e-10 5.805200000000001e-10 5.645389e-10 5.513722e-10 5.401756e-10 5.304355e-10 5.218162000000001e-10 5.140862000000001e-10 5.07079e-10 5.00671e-10 4.947676000000001e-10 4.892952000000001e-10 4.841951e-10 4.794199000000001e-10 4.749306e-10 4.706949e-10 4.666858000000001e-10 4.6288010000000004e-10 4.592582e-10 4.558032e-10 4.5250050000000004e-10 4.49337e-10 4.4718340000000005e-10 4.449168e-10 4.425248e-10 4.3999249999999997e-10 4.3730260000000003e-10 4.3443410000000003e-10 4.3136150000000006e-10 4.280537e-10 4.2447160000000003e-10 4.205654e-10 4.162709000000001e-10 4.1150200000000004e-10 4.061408e-10 4.000191e-10 3.928849e-10 3.843354e-10 3.736669e-10 3.5947e-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" [ 2.39291 3.31071 3.98143 4.50965 4.94183 5.30359 5.61089 5.87447 6.10198 6.2991 6.47019 6.61866 6.73496 6.84467 6.94003 7.02121 7.08956 7.14621 7.19215 7.22825 7.25526 7.27385 7.28462 7.2881 7.28644 7.281 7.27104 7.25558 7.23345 7.20309 7.16255 7.10923 7.03969 6.94922 6.83127 6.67642 6.47065 6.19223 5.80543 5.24718 4.39427 2.96661 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.833864457678528e-19 5.304342160248768e-19 6.378954063351744e-19 7.22525579799072e-19 7.917684489968065e-19 8.497287904308673e-19 8.989636779880513e-19 9.411938493590976e-19 9.776449696589184e-19 1.0092270752081281e-18 1.0366387150133951e-18 1.0604262313024129e-18 1.0790595454023169e-18 1.0966370251091137e-18 1.1119153813650625e-18 1.124921851172717e-18 1.1358727283758848e-18 1.1449490589327169e-18 1.1523094583286721e-18 1.1580933159297601e-18 1.1624207949825409e-18 1.1653992413206081e-18 1.1671247855412098e-18 1.1676823430052481e-18 1.1674163816861953e-18 1.16654479760448e-18 1.1649490296901634e-18 1.1624720646344065e-18 1.1589264477725761e-18 1.1540622395518274e-18 1.1475670155311042e-18 1.1390242097889984e-18 1.1278826735679553e-18 1.1133877816795777e-18 1.0944901084372417e-18 1.0696804034641537e-18 1.0367124151379521e-18 9.921046136616384e-19 9.301324219690945e-19 8.406909121129345e-19 7.040396659482816e-19 4.753033185031489e-19 ] } }