{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 9.37067 8.7428 8.353671 8.070948 7.848762 7.665706 7.510039 7.374622 7.254788 7.147318 7.049897 6.960806 6.878732 6.802649 6.731743 6.665353 6.602938 6.54405 6.48831 6.435399 6.385045 6.33701 6.291092 6.24711 6.202647 6.156827 6.109566 6.060769 6.010334 5.958146 5.90408 5.847995 5.789734 5.729122 5.665961 5.600027 5.531065 5.458785 5.38285 5.302871 5.218392 5.128878 5.03369 4.93206 4.82305 4.705507 4.577979 4.43861 4.284976 4.113819 3.920622 3.698857 3.438583 3.12356 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.37067e-10 8.742800000000001e-10 8.353671000000001e-10 8.070948e-10 7.848762e-10 7.665706000000001e-10 7.510039e-10 7.374622e-10 7.254788e-10 7.147318e-10 7.049897e-10 6.960806e-10 6.878732e-10 6.802649e-10 6.731743e-10 6.665353e-10 6.602938e-10 6.544050000000001e-10 6.48831e-10 6.435399000000001e-10 6.385045e-10 6.33701e-10 6.291092e-10 6.24711e-10 6.202647e-10 6.156827e-10 6.109566e-10 6.060769e-10 6.010334000000001e-10 5.958146000000001e-10 5.90408e-10 5.847995e-10 5.789734000000001e-10 5.729122e-10 5.665961000000001e-10 5.600027e-10 5.531065e-10 5.458785e-10 5.382850000000001e-10 5.302870999999999e-10 5.218392e-10 5.128878e-10 5.03369e-10 4.93206e-10 4.82305e-10 4.705507e-10 4.577979e-10 4.4386099999999996e-10 4.2849760000000003e-10 4.1138190000000007e-10 3.920622e-10 3.698857e-10 3.438583e-10 3.12356e-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" [ 0.0520252 -0.0716165 -0.188985 -0.24838 -0.272275 -0.284816 -0.293119 -0.298591 -0.301506 -0.288599 -0.264139 -0.24287 -0.231138 -0.233731 -0.238049 -0.222409 -0.207629 -0.194169 -0.182646 -0.173363 -0.166198 -0.161093 -0.157999 -0.156957 -0.158124 -0.161989 -0.169205 -0.18059 -0.197037 -0.21951 -0.248561 -0.284388 -0.328359 -0.382133 -0.447905 -0.5287 -0.627727 -0.749649 -0.900188 -1.08525 -1.30967 -1.58066 -1.90714 -2.30248 -2.77171 -3.31966 -3.96538 -4.73853 -5.67917 -6.87382 -8.48313 -10.7257 -14.3845 -21.938 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.335355981917679e-21 -1.1474228290886099e-20 -3.0278735117648993e-20 -3.9794863235292e-20 -4.3623264302234994e-20 -4.56325540189344e-20 -4.69628412781446e-20 -4.7839552332269397e-20 -4.83065868210804e-20 -4.6238657439576596e-20 -4.23197333928126e-20 -3.8912063909957996e-20 -3.70323902829492e-20 -3.7447834684145394e-20 -3.81396545547066e-20 -3.5633850299130597e-20 -3.32658332340786e-20 -3.11093034847146e-20 -2.92631153493564e-20 -2.7775814780014195e-20 -2.66278552217532e-20 -2.5809944050096195e-20 -2.53142305995366e-20 -2.5147283794273802e-20 -2.5334257807461597e-20 -2.5953499076502597e-20 -2.7109629735596995e-20 -2.8933707833406e-20 -3.1568807743345795e-20 -3.5169379292934e-20 -3.98238626323674e-20 -4.5563980858999194e-20 -5.26089117363606e-20 -6.12244563680322e-20 -7.1762292525177e-20 -8.470707863957998e-20 -1.005729531930918e-19 -1.2010701115014658e-19 -1.4422601798071918e-19 -1.7387621920485e-19 -2.0983226722507796e-19 -2.53249651829844e-19 -3.05557514576676e-19 -3.68897965625232e-19 -4.44076899822414e-19 -5.318681684824439e-19 -6.35323918093092e-19 -7.59196204550802e-19 -9.099033474513779e-19 -1.101307379032188e-18 -1.3591472669184418e-18 -1.71844659232938e-18 -2.3046509791772998e-18 -3.5148550996692e-18 ] } }