{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" [ 3.91876 3.656189 3.493458 3.375226 3.282309 3.205757 3.140658 3.084028 3.033914 2.988971 2.94823 2.910973 2.87665 2.844832 2.81518 2.787416 2.761315 2.736688 2.713378 2.691251 2.670193 2.650106 2.630903 2.61251 2.599989 2.58681 2.572903 2.55818 2.54254 2.525862 2.507998 2.488766 2.467939 2.445228 2.420259 2.392532 2.361361 2.325768 2.284289 2.234581 2.172553 2.09001 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.91876e-10 3.656189e-10 3.493458e-10 3.3752260000000004e-10 3.2823090000000004e-10 3.205757e-10 3.1406580000000004e-10 3.084028e-10 3.0339140000000006e-10 2.988971e-10 2.9482300000000005e-10 2.910973e-10 2.87665e-10 2.8448319999999997e-10 2.81518e-10 2.787416e-10 2.761315e-10 2.7366880000000003e-10 2.7133780000000004e-10 2.6912509999999997e-10 2.670193e-10 2.6501060000000003e-10 2.630903e-10 2.61251e-10 2.599989e-10 2.58681e-10 2.5729030000000004e-10 2.5581800000000004e-10 2.54254e-10 2.5258620000000003e-10 2.5079980000000004e-10 2.488766e-10 2.467939e-10 2.445228e-10 2.4202590000000003e-10 2.392532e-10 2.361361e-10 2.3257680000000003e-10 2.284289e-10 2.234581e-10 2.1725530000000003e-10 2.09001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.12191 3.39234 4.0327 4.63241 4.71952 4.69724 4.62991 4.52898 4.39484 4.25179 4.11118 3.97951 3.8602 3.75329 3.65798 3.57307 3.49708 3.42774 3.36312 3.30067 3.23787 3.16902 3.06661 2.92012 2.79304 2.63487 2.35353 1.63864 0.775544 -0.161704 -1.12378 -2.02709 -2.78653 -3.31591 -3.52851 -3.35923 -2.77809 -1.80053 -0.482158 0.632941 -0.246216 -3.18585 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.3996745934417287e-19 5.435127837804672e-19 6.461097658700161e-19 7.421938999960128e-19 7.561504605398017e-19 7.525808110286592e-19 7.417933558408128e-19 7.256225872070784e-19 7.041309900156673e-19 6.812118534551232e-19 6.586836479900545e-19 6.375877884239808e-19 6.18472219161216e-19 6.013433489082432e-19 5.860730035353984e-19 5.724689218481856e-19 5.602939817067265e-19 5.491844890180992e-19 5.388312236944896e-19 5.288256306975937e-19 5.187639615189696e-19 5.077329754847616e-19 4.913250847111488e-19 4.678547993930496e-19 4.474943388959232e-19 4.221527112847296e-19 3.7707707423514242e-19 2.625390697907712e-19 1.2425584652017154e-19 -2.590783682898432e-20 -1.8004940429226242e-19 -3.2477562062574717e-19 -4.464513219157824e-19 -5.312673478676928e-19 -5.653296228259008e-19 -5.382079769889985e-19 -4.450990848478272e-19 -2.8847670710490243e-19 -7.725022751316864e-20 1.0140832725457728e-19 -3.9448151886689283e-20 -5.10429438737568e-19 ] } }