{ "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" [ "Na" "Na" ] } "a" { "source-value" [ 3.60822 3.366456 3.21662 3.107757 3.022203 2.951716 2.891776 2.839633 2.793491 2.752109 2.714597 2.680292 2.648689 2.619393 2.59209 2.566526 2.542493 2.519818 2.498355 2.477982 2.458592 2.440096 2.422415 2.40548 2.393951 2.381817 2.369011 2.355455 2.341054 2.325698 2.309249 2.291541 2.272364 2.251452 2.228462 2.202931 2.174231 2.141458 2.103265 2.057496 2.000383 1.92438 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.60822e-10 3.366456e-10 3.2166199999999997e-10 3.107757e-10 3.022203e-10 2.9517159999999997e-10 2.8917760000000004e-10 2.8396330000000004e-10 2.793491e-10 2.752109e-10 2.714597e-10 2.680292e-10 2.648689e-10 2.619393e-10 2.5920899999999997e-10 2.5665260000000004e-10 2.542493e-10 2.519818e-10 2.498355e-10 2.477982e-10 2.458592e-10 2.440096e-10 2.422415e-10 2.40548e-10 2.393951e-10 2.3818169999999997e-10 2.369011e-10 2.355455e-10 2.341054e-10 2.3256980000000002e-10 2.309249e-10 2.2915410000000002e-10 2.2723640000000002e-10 2.2514520000000001e-10 2.2284620000000001e-10 2.202931e-10 2.174231e-10 2.141458e-10 2.103265e-10 2.0574960000000002e-10 2.000383e-10 1.92438e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.997784 0.979097 1.08346 1.29127 1.57344 1.90958 2.29398 2.71725 3.16957 3.64068 4.12147 4.60419 5.08208 5.54893 5.99885 6.42602 6.82453 7.18841 7.51177 7.78886 8.01402 8.18159 8.28606 8.32204 8.30338 8.23966 8.11622 7.91324 7.6035 7.14911 6.49619 5.56669 4.24459 2.3526 -0.389311 -4.44351 -10.6098 -20.3634 -36.6469 -65.9902 -125.373 -270.915 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5986261974083073e-19 1.5686863228954177e-19 1.7358942815719683e-19 2.068842605140416e-19 2.5209287822315523e-19 3.059484431547264e-19 3.675361124582784e-19 4.3535144228688e-19 5.078210951989057e-19 5.833012379814144e-19 6.603322877328577e-19 7.376725575721153e-19 8.142389761035266e-19 8.890365916455745e-19 9.61121722168608e-19 1.0295619008793218e-18 1.0934102413948224e-18 1.151710244272493e-18 1.2035182274826817e-18 1.2479129394684287e-18 1.2839875482623617e-18 1.3108352218971073e-18 1.327573161054605e-18 1.3333377925362431e-18 1.3303481309618305e-18 1.3201390615340929e-18 1.3003617933269376e-18 1.2678408122779392e-18 1.2182149936252801e-18 1.145413690152749e-18 1.0408043742274753e-18 8.918820573241153e-19 6.800582862881472e-19 3.76928071809408e-19 -6.237449824202688e-20 -7.119287836291008e-19 -1.699877351136384e-18 -3.2625763399998718e-18 -5.871480640479553e-18 -1.0572795564191617e-17 -2.008696894795584e-17 -4.34053679224032e-17 ] } }