{ "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" [ 9.31191 8.687978 8.301289 8.02034 7.799547 7.617639 7.462949 7.328381 7.209299 7.102502 7.005693 6.91716 6.835601 6.759995 6.689533 6.62356 6.561536 6.503017 6.447627 6.395049 6.34501 6.297276 6.251646 6.20794 6.163756 6.118223 6.071258 6.022767 5.972648 5.920788 5.86706 5.811326 5.753431 5.693199 5.630434 5.564913 5.496384 5.424556 5.349097 5.26962 5.185671 5.096718 5.002127 4.901133 4.792807 4.676001 4.549272 4.410777 4.258106 4.088022 3.896036 3.67566 3.417019 3.10397 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.31191e-10 8.687978e-10 8.301289000000001e-10 8.020339999999999e-10 7.799547e-10 7.617639e-10 7.462949e-10 7.328381e-10 7.209299e-10 7.102502000000001e-10 7.005693e-10 6.91716e-10 6.835601e-10 6.759995e-10 6.689533000000001e-10 6.62356e-10 6.561536000000001e-10 6.503017e-10 6.447627e-10 6.395049e-10 6.34501e-10 6.297276e-10 6.251646000000001e-10 6.20794e-10 6.163756e-10 6.118223000000001e-10 6.071258000000001e-10 6.022767e-10 5.972648e-10 5.920788e-10 5.867060000000001e-10 5.811326e-10 5.753431000000001e-10 5.693199e-10 5.630434e-10 5.564913e-10 5.496384e-10 5.424556e-10 5.349097000000001e-10 5.26962e-10 5.185671e-10 5.096718e-10 5.002127e-10 4.901133e-10 4.792807e-10 4.676001e-10 4.5492720000000004e-10 4.4107770000000003e-10 4.258106e-10 4.0880219999999995e-10 3.8960360000000004e-10 3.67566e-10 3.417019e-10 3.10397e-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" [ 0.601149 0.867368 1.16889 1.40014 1.57499 1.73879 1.89358 2.03522 2.16102 2.27347 2.37137 2.45284 2.51786 2.56763 2.60517 2.63309 2.6552 2.67638 2.69565 2.71217 2.72538 2.73487 2.74041 2.74211 2.74047 2.73552 2.72727 2.71574 2.70095 2.68288 2.6616 2.64358 2.62879 2.61261 2.59004 2.55567 2.50679 2.44886 2.37803 2.28772 2.16586 1.98787 1.71848 1.31423 0.743772 -0.00211093 -0.956881 -2.20032 -3.88251 -6.31548 -10.0532 -16.0263 -26.1923 -41.5622 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.63146881352466e-20 1.389676742679312e-19 1.8727682457162599e-19 2.24327159232876e-19 2.5234121767836597e-19 2.78584870943286e-19 3.0338496306097197e-19 3.2607819290494795e-19 3.46233574960668e-19 3.64250051209998e-19 3.79935360456858e-19 3.92988293494056e-19 4.03405645968324e-19 4.1137967907574195e-19 4.17394250159778e-19 4.21867527321906e-19 4.254099398596799e-19 4.2880334997049197e-19 4.3189074434421e-19 4.34537540143578e-19 4.366540154770919e-19 4.38174481102758e-19 4.390620869579939e-19 4.39334456985774e-19 4.39071700017798e-19 4.38278622583968e-19 4.36956826860918e-19 4.351095172019159e-19 4.3273989796023e-19 4.29844764782592e-19 4.2643533290543995e-19 4.2354821061097196e-19 4.21178591369286e-19 4.1858626957547397e-19 4.1497015691253597e-19 4.09463475821478e-19 4.01632036434486e-19 3.9235062719372396e-19 3.8100241009510196e-19 3.66533152913448e-19 3.4700902845152396e-19 3.18491886542958e-19 2.7533085019963196e-19 2.10562859770182e-19 1.191654119423448e-19 -3.38208272200962e-22 -1.5330923797185538e-19 -3.52530129132288e-19 -6.220466803271339e-19 -1.0118514488494319e-18 -1.61070021369288e-18 -2.56769633894742e-18 -4.1964691050718195e-18 -6.658998569763479e-18 ] } }