{ "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" [ "U" "U" ] } "a" { "source-value" [ 5.3328 4.975483 4.754032 4.593136 4.466691 4.362515 4.273926 4.196861 4.128664 4.067503 4.012062 3.96136 3.914652 3.871354 3.831002 3.79322 3.7577 3.724187 3.692465 3.662354 3.633698 3.606362 3.58023 3.5552 3.529896 3.50382 3.476924 3.449154 3.420452 3.390752 3.359983 3.328065 3.294909 3.260415 3.22447 3.186947 3.147702 3.106567 3.063353 3.017837 2.969761 2.918819 2.864648 2.80681 2.744773 2.67788 2.605304 2.52599 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3328e-10 4.975483e-10 4.754032e-10 4.5931360000000005e-10 4.466691e-10 4.3625150000000003e-10 4.2739260000000006e-10 4.196861e-10 4.128664e-10 4.0675030000000006e-10 4.0120620000000003e-10 3.96136e-10 3.914652e-10 3.8713540000000005e-10 3.831002e-10 3.79322e-10 3.7577e-10 3.7241870000000004e-10 3.692465e-10 3.662354e-10 3.633698e-10 3.606362e-10 3.58023e-10 3.5552000000000003e-10 3.529896e-10 3.5038200000000005e-10 3.476924e-10 3.449154e-10 3.420452e-10 3.390752e-10 3.359983e-10 3.3280650000000003e-10 3.2949090000000005e-10 3.260415e-10 3.2244700000000003e-10 3.186947e-10 3.1477020000000005e-10 3.106567e-10 3.0633530000000005e-10 3.017837e-10 2.9697610000000004e-10 2.918819e-10 2.864648e-10 2.80681e-10 2.744773e-10 2.67788e-10 2.605304e-10 2.5259900000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -0.298323 -0.0938599 1.6781 2.13935 2.15824 2.27087 2.60384 2.92731 3.16682 3.34487 3.46586 3.54452 3.5976 3.64045 3.68426 3.73501 3.79475 3.86428 3.95102 4.03148 4.09128 4.12762 4.14363 4.14747 4.14415 4.13501 4.12137 4.10319 4.07635 4.03786 3.98495 3.91376 3.82105 3.71156 3.58919 3.44738 3.25422 2.96904 2.54627 1.8906 1.10426 0.73198 0.313726 -0.215952 -0.991136 -2.08926 -3.76189 -6.75467 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -4.77966139984782e-20 -1.5038013864957658e-20 2.6886126095153997e-19 3.4276165819478996e-19 3.45788169856416e-19 3.63833485285158e-19 4.1718116066745596e-19 4.690067682474539e-19 5.07380500808388e-19 5.359072557767579e-19 5.55291990871524e-19 5.67894712274568e-19 5.763990658478399e-19 5.8326439272453e-19 5.9028352855808395e-19 5.984145749756339e-19 6.0798597818715e-19 6.19125912323352e-19 6.33023192446668e-19 6.45914305643832e-19 6.55495321915152e-19 6.61317631803108e-19 6.638827165941419e-19 6.64497952421598e-19 6.6396602977911e-19 6.62501640335634e-19 6.603162714068579e-19 6.574035142862459e-19 6.531032722005899e-19 6.46936494336324e-19 6.384593777658299e-19 6.270534823083839e-19 6.1219970273457e-19 5.946574707689039e-19 5.750516352986459e-19 5.523311684518919e-19 5.21383524589548e-19 4.75692651341136e-19 4.0795742978551793e-19 3.0290751442403998e-19 1.7692195698608398e-19 1.17276125255532e-19 5.02644466678284e-20 -3.45993248465568e-20 -1.587974940316224e-19 -3.3473635543508398e-19 -6.02721225767826e-19 -1.0822174444380779e-18 ] } }