{ "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" [ "Re" "Re" "Re" "Re" ] } "a" { "source-value" [ 6.22992 5.812492 5.553787 5.365824 5.218108 5.096407 4.992915 4.902885 4.823216 4.751766 4.686998 4.627767 4.573202 4.52262 4.475479 4.431341 4.389846 4.350695 4.313637 4.278461 4.244983 4.213048 4.18252 4.15328 4.133374 4.112423 4.090313 4.066907 4.042043 4.015529 3.987129 3.956554 3.923443 3.887338 3.847643 3.803563 3.754008 3.697424 3.631481 3.552457 3.453845 3.32262 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.229920000000001e-10 5.812492e-10 5.553787e-10 5.365824e-10 5.218108e-10 5.096407e-10 4.992915e-10 4.902885e-10 4.823216e-10 4.751766000000001e-10 4.686998e-10 4.6277670000000006e-10 4.5732020000000004e-10 4.52262e-10 4.475479e-10 4.431341e-10 4.3898460000000004e-10 4.350695e-10 4.313637e-10 4.278461e-10 4.2449830000000006e-10 4.2130479999999996e-10 4.1825200000000005e-10 4.15328e-10 4.133374e-10 4.112423e-10 4.0903130000000003e-10 4.066907e-10 4.042043e-10 4.015529e-10 3.987129e-10 3.9565540000000004e-10 3.923443e-10 3.8873380000000003e-10 3.8476430000000005e-10 3.8035630000000003e-10 3.754008e-10 3.697424e-10 3.631481e-10 3.552457e-10 3.453845e-10 3.32262e-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" [ 6.0002 8.9655 11.5895 13.9909 16.2219 18.309 20.2764 22.1278 23.867 25.5017 27.0301 28.4526 29.7702 30.9839 32.09 33.0873 33.9743 34.7517 35.4148 35.9614 36.3893 36.6978 36.8879 36.9519 36.9197 36.8113 36.6049 36.2719 35.7736 35.0577 34.0513 32.6518 30.7119 28.0149 24.2186 18.7834 10.808 -1.31425 -20.6566 -53.7973 -116.993 -260.899 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.613380160124161e-19 1.4364314493782402e-18 1.85684259467616e-18 2.241589288395072e-18 2.5990348924955524e-18 2.9334251750227204e-18 3.248637403398912e-18 3.545264382973824e-18 3.82391494086336e-18 4.085822753065536e-18 4.3306994277886086e-18 4.558609052097408e-18 4.769711843654016e-18 4.964168020120512e-18 5.141384776147201e-18 5.301169850539584e-18 5.443282916804544e-18 5.567836127305536e-18 5.674076459030784e-18 5.761651433123712e-18 5.830208570727744e-18 5.879635719479424e-18 5.910093097040832e-18 5.920347027413953e-18 5.915188018694976e-18 5.897820424125505e-18 5.8647514986721926e-18 5.811399017199553e-18 5.731562556185089e-18 5.616862731902016e-18 5.4556196767847036e-18 5.231395058703744e-18 4.9205888160347524e-18 4.488481781404992e-18 3.880247470850688e-18 3.0094324339134722e-18 1.73163249176064e-18 -2.1056606238864e-19 -3.3095521585217284e-18 -8.619277632216384e-18 -1.874434493972544e-17 -4.180062781900992e-17 ] } }