{ "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" [ 4.90505 4.576393 4.372704 4.224714 4.108411 4.012591 3.931107 3.860224 3.797497 3.741242 3.690247 3.643613 3.600651 3.560826 3.52371 3.488958 3.456287 3.425462 3.396286 3.36859 3.342232 3.317088 3.293052 3.27003 3.254357 3.237862 3.220454 3.202025 3.182449 3.161573 3.139213 3.11514 3.089071 3.060644 3.02939 2.994684 2.955668 2.911117 2.859198 2.796979 2.719339 2.61602 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.905050000000001e-10 4.5763930000000007e-10 4.372704e-10 4.2247139999999997e-10 4.1084110000000004e-10 4.012591e-10 3.931107e-10 3.860224e-10 3.797497e-10 3.7412420000000004e-10 3.690247e-10 3.643613e-10 3.600651e-10 3.5608260000000003e-10 3.52371e-10 3.488958e-10 3.456287e-10 3.425462e-10 3.396286e-10 3.3685900000000006e-10 3.342232e-10 3.317088e-10 3.293052e-10 3.2700300000000003e-10 3.2543570000000004e-10 3.237862e-10 3.220454e-10 3.202025e-10 3.1824490000000004e-10 3.1615730000000004e-10 3.139213e-10 3.11514e-10 3.0890710000000003e-10 3.060644e-10 3.02939e-10 2.994684e-10 2.955668e-10 2.911117e-10 2.859198e-10 2.796979e-10 2.719339e-10 2.6160199999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.83027 2.37739 2.76164 3.0642 3.31369 3.52501 3.70703 3.86554 4.00455 4.12695 4.23493 4.33018 4.41404 4.48758 4.55171 4.60715 4.65454 4.69442 4.72723 4.75339 4.77324 4.78709 4.79523 4.79789 4.7966 4.79232 4.78435 4.7718 4.7535 4.72791 4.693 4.64601 4.58312 4.4989 4.38548 4.23096 4.01667 3.71174 3.26168 2.56136 1.38158 -0.881346 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9324158037516165e-19 3.8089986765237123e-19 4.424635043066112e-19 4.90938960145536e-19 5.309116646578752e-19 5.647688610086208e-19 5.939316798604225e-19 6.193277814767233e-19 6.41599638682464e-19 6.612102805210561e-19 6.785105836724544e-19 6.937713159855745e-19 7.072071691276033e-19 7.189895759969665e-19 7.292643346661569e-19 7.38146801851872e-19 7.457395168578432e-19 7.521289972215937e-19 7.573857387144383e-19 7.615770327544512e-19 7.647573533467393e-19 7.669763679665473e-19 7.682805397358785e-19 7.687067187170112e-19 7.68500037932928e-19 7.678143063392256e-19 7.665373715724481e-19 7.64526639913344e-19 7.6159465669728e-19 7.574946867246528e-19 7.5190148814144e-19 7.443728602003009e-19 7.342967714320897e-19 7.20803239931712e-19 7.026313526985985e-19 6.778745195539968e-19 6.435414767468737e-19 5.946863050488192e-19 5.225787440530944e-19 4.1037511094522883e-19 2.2135351757648643e-19 -1.4120719560355968e-19 ] } }