{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1041 7.561095 7.224562 6.980053 6.787898 6.629584 6.494958 6.377844 6.274208 6.181263 6.09701 6.019961 5.94898 5.883181 5.821858 5.764442 5.710463 5.659534 5.611329 5.56557 5.522021 5.480479 5.440767 5.40273 5.364277 5.32465 5.283777 5.241576 5.197957 5.152824 5.106065 5.05756 5.007174 4.954755 4.900131 4.843109 4.783468 4.720958 4.655286 4.586117 4.513057 4.435643 4.35332 4.265426 4.171151 4.069496 3.959204 3.838674 3.705805 3.557783 3.390698 3.198907 2.973814 2.70137 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.104100000000001e-10 7.561095e-10 7.224562e-10 6.980053e-10 6.787898e-10 6.629584000000001e-10 6.494958e-10 6.377844e-10 6.274208e-10 6.181263000000001e-10 6.09701e-10 6.019961000000001e-10 5.94898e-10 5.883181000000001e-10 5.821858e-10 5.764442e-10 5.710463e-10 5.659534e-10 5.611329e-10 5.565570000000001e-10 5.522021e-10 5.480479e-10 5.440767e-10 5.402730000000001e-10 5.364277000000001e-10 5.32465e-10 5.283777e-10 5.241576e-10 5.197957e-10 5.152824e-10 5.106065e-10 5.05756e-10 5.007174e-10 4.954754999999999e-10 4.900131e-10 4.843109e-10 4.783468e-10 4.720958000000001e-10 4.6552860000000006e-10 4.586117e-10 4.513057e-10 4.435643e-10 4.35332e-10 4.265426e-10 4.1711510000000004e-10 4.069496e-10 3.9592040000000004e-10 3.8386740000000004e-10 3.705805e-10 3.557783e-10 3.390698e-10 3.1989070000000004e-10 2.973814e-10 2.70137e-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" [ 0.028185 0.230446 1.48582 2.55432 2.97656 3.20507 3.3651 3.51903 3.66807 3.80706 3.93516 4.05057 4.15311 4.24296 4.32139 4.38912 4.44647 4.49449 4.53586 4.57 4.59625 4.61441 4.62482 4.62814 4.62472 4.61379 4.59412 4.56432 4.5228 4.46759 4.39629 4.30609 4.19395 4.0528 3.86918 3.63085 3.34965 3.03822 2.67439 2.22472 1.8435 1.49922 1.11424 0.704667 0.282488 -0.107428 -0.538309 -1.00524 -1.58446 -2.50616 -4.10666 -7.07524 -13.6432 -29.4999 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.515734842929e-21 3.69215196598764e-20 2.3805460863298796e-19 4.09247181975888e-19 4.76897488169904e-19 5.13508826433438e-19 5.3914845910734e-19 5.63810764034502e-19 5.876896045876379e-19 6.09958257623604e-19 6.30482140305144e-19 6.489728608381378e-19 6.654015800431739e-19 6.797971370996639e-19 6.92363008440126e-19 7.03214550782208e-19 7.124030337781979e-19 7.200966859746659e-19 7.267248907095239e-19 7.32194721738e-19 7.3640043540225e-19 7.39309988169594e-19 7.409778540455879e-19 7.41509776688076e-19 7.40961832279248e-19 7.3921065321828595e-19 7.36059171779208e-19 7.31284685409888e-19 7.2463244802551995e-19 7.15786830829206e-19 7.043633114287859e-19 6.89911678190106e-19 6.7194486941643e-19 6.4933014622752e-19 6.199109788740119e-19 5.8172630315589e-19 5.3667309620781e-19 4.867765092951479e-19 4.2848451682032596e-19 3.5643944011924796e-19 2.953612624779e-19 2.40201525322548e-19 1.7852092926681597e-19 1.129001002150878e-19 4.5259567298539197e-20 -1.72118631437352e-20 -8.62466101671906e-20 -1.6105720395621598e-19 -2.53858478950764e-19 -4.01531099306544e-19 -6.579594695782439e-19 -1.1335784207942159e-18 -2.18588162529888e-18 -4.72640504853366e-18 ] } }