{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.71012 8.12651 7.764813 7.50202 7.295496 7.125345 6.980651 6.85478 6.743394 6.6435 6.552946 6.470135 6.393847 6.323127 6.257219 6.195509 6.137495 6.082757 6.030947 5.981766 5.934961 5.890313 5.847631 5.80675 5.778919 5.749628 5.718716 5.685991 5.651229 5.61416 5.574453 5.531706 5.485414 5.434935 5.379437 5.317808 5.248526 5.169415 5.07722 4.966736 4.828867 4.6454 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.71012e-10 8.12651e-10 7.764813000000001e-10 7.50202e-10 7.295496e-10 7.125345e-10 6.980651e-10 6.85478e-10 6.743394000000001e-10 6.643500000000001e-10 6.552946e-10 6.470135e-10 6.393847000000001e-10 6.323127000000001e-10 6.257219000000001e-10 6.195509000000001e-10 6.137495e-10 6.082757000000001e-10 6.030947000000001e-10 5.981766e-10 5.934961000000001e-10 5.890313e-10 5.847631e-10 5.806750000000001e-10 5.778919e-10 5.749628e-10 5.718716e-10 5.685991e-10 5.651229e-10 5.61416e-10 5.574453e-10 5.531706e-10 5.485414e-10 5.434935e-10 5.379437e-10 5.317808e-10 5.248526e-10 5.169415e-10 5.07722e-10 4.966736e-10 4.828867e-10 4.645400000000001e-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" [ 0.794442 1.20604 1.46432 1.64341 1.77512 1.87997 1.96884 2.04536 2.11108 2.1675 2.21688 2.26004 2.2978 2.33088 2.35986 2.38541 2.40786 2.42726 2.4436 2.45675 2.46663 2.47387 2.4784 2.47996 2.47916 2.47643 2.47119 2.46268 2.44997 2.43191 2.40737 2.37508 2.3328 2.27743 2.20454 2.10764 1.97658 1.794 1.53236 1.14508 -0.0753682 -13.4646 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2728363989815937e-19 1.932289091749632e-19 2.3460992693698565e-19 2.6330330803889283e-19 2.844055763114496e-19 3.012043981805376e-19 3.154429418095872e-19 3.2770279731194883e-19 3.382323020638464e-19 3.4727178255840004e-19 3.5518333071191047e-19 3.6209832500728323e-19 3.6814814392742406e-19 3.734481441890304e-19 3.780912520361088e-19 3.821848133022528e-19 3.857816998159488e-19 3.8888992246030084e-19 3.91507879058688e-19 3.9361474131504004e-19 3.951976918163904e-19 3.963576676898496e-19 3.9708345369907205e-19 3.9733339325191687e-19 3.972052191222528e-19 3.9676782490477447e-19 3.9592828435547523e-19 3.9456483205117446e-19 3.925284655661376e-19 3.896349345889728e-19 3.857031931615296e-19 3.8052976485296643e-19 3.7375576210022406e-19 3.648845101508544e-19 3.5320624476184323e-19 3.3768115330629123e-19 3.1668302651408643e-19 2.8743048577152004e-19 2.455111366649088e-19 1.8346204049456643e-19 -1.2075316799177857e-20 -2.1572667328423683e-18 ] } }