{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.96446 5.56482 5.317139 5.137185 4.995764 4.879248 4.780166 4.693973 4.617699 4.549294 4.487285 4.430579 4.378338 4.329911 4.284779 4.242522 4.202795 4.165312 4.129834 4.096156 4.064106 4.033532 4.004304 3.97631 3.957252 3.937195 3.916027 3.893618 3.869814 3.844429 3.81724 3.787968 3.756268 3.721702 3.683698 3.641496 3.594054 3.539881 3.476748 3.401092 3.306683 3.18105 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.96446e-10 5.56482e-10 5.317139e-10 5.137185e-10 4.995764e-10 4.879248e-10 4.780166e-10 4.693973e-10 4.617699e-10 4.5492939999999996e-10 4.487285e-10 4.430579e-10 4.3783380000000005e-10 4.329911e-10 4.2847790000000006e-10 4.2425220000000004e-10 4.202795e-10 4.1653120000000003e-10 4.129834e-10 4.0961559999999997e-10 4.064106e-10 4.0335320000000005e-10 4.0043040000000006e-10 3.97631e-10 3.957252e-10 3.937195e-10 3.916027e-10 3.893618e-10 3.869814e-10 3.844429e-10 3.8172400000000004e-10 3.787968e-10 3.756268e-10 3.7217020000000003e-10 3.6836980000000003e-10 3.641496e-10 3.594054e-10 3.539881e-10 3.4767480000000003e-10 3.401092e-10 3.3066830000000003e-10 3.18105e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.40294 2.14996 2.75771 3.27314 3.71963 4.11122 4.45728 4.76448 5.03786 5.28129 5.49791 5.69023 5.86038 6.01015 6.14106 6.25443 6.35141 6.43303 6.50018 6.55367 6.59421 6.62247 6.63904 6.64445 6.64183 6.63318 6.61713 6.5919 6.55523 6.50418 6.43485 6.342 6.21845 6.05417 5.83468 5.53848 5.13235 4.56238 3.73545 2.47688 0.41838 -3.36612 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2477576683851523e-19 3.4446156476551686e-19 4.418338488946368e-19 5.244148384605312e-19 5.959504224026304e-19 6.586900566965377e-19 7.141349808359424e-19 7.633538466269184e-19 8.071541510863489e-19 8.461559365664833e-19 8.808622865262529e-19 9.116753472974784e-19 9.389363825003905e-19 9.629321817501122e-19 9.83906275893005e-19 1.0020701522430146e-18 1.0176080611115329e-18 1.0306850266905025e-18 1.0414436426991745e-18 1.0500136854438336e-18 1.0565089094645568e-18 1.0610366605949377e-18 1.0636914672556032e-18 1.064558244807456e-18 1.0641384745328063e-18 1.0627525917558145e-18 1.0601810982794304e-18 1.0561388066651521e-18 1.0502636249966785e-18 1.0420845133474944e-18 1.030976622835488e-18 1.01610041291136e-18 9.96305520761376e-19 9.699849632348737e-19 9.348187885849344e-19 8.873623170768385e-19 8.22293117976288e-19 7.309738571205504e-19 5.98485065816736e-19 3.9683992285271044e-19 6.70318654610304e-20 -5.393118766807297e-19 ] } }