{ "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" [ 4.86326 4.537403 4.33545 4.18872 4.073408 3.978404 3.897615 3.827335 3.765143 3.709367 3.658807 3.61257 3.569974 3.530488 3.493689 3.459233 3.426841 3.396278 3.36735 3.33989 3.313756 3.288827 3.264996 3.24217 3.226631 3.210276 3.193017 3.174745 3.155336 3.134639 3.112469 3.088602 3.062755 3.03457 3.003583 2.969174 2.93049 2.88632 2.834843 2.773155 2.696177 2.59374 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.863260000000001e-10 4.5374030000000007e-10 4.33545e-10 4.1887200000000004e-10 4.073408e-10 3.978404e-10 3.897615e-10 3.827335e-10 3.765143e-10 3.709367e-10 3.658807e-10 3.61257e-10 3.5699740000000006e-10 3.530488e-10 3.493689e-10 3.459233e-10 3.426841e-10 3.396278e-10 3.3673500000000003e-10 3.33989e-10 3.3137560000000004e-10 3.288827e-10 3.2649960000000004e-10 3.24217e-10 3.226631e-10 3.210276e-10 3.1930170000000005e-10 3.1747450000000003e-10 3.155336e-10 3.134639e-10 3.112469e-10 3.088602e-10 3.062755e-10 3.0345700000000003e-10 3.003583e-10 2.9691740000000004e-10 2.93049e-10 2.8863200000000003e-10 2.834843e-10 2.773155e-10 2.6961770000000004e-10 2.59374e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.64987 2.28985 2.75497 3.10422 3.37411 3.60262 3.8154 4.0208 4.21848 4.40397 4.57232 4.7215 4.85296 4.96908 5.07072 5.15564 5.21882 5.2567 5.27292 5.27816 5.28512 5.29679 5.30805 5.31302 5.30986 5.2981 5.27348 5.23037 5.16145 5.05732 4.90609 4.69287 4.39929 4.0041 3.48601 2.82827 1.99505 0.843404 -1.16143 -6.04076 -22.2993 -95.0029 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6433831631375795e-19 3.6687441653649e-19 4.41394856137098e-19 4.97350875079548e-19 5.40592020254574e-19 5.77203358518108e-19 6.1129447293636e-19 6.4420318099872e-19 6.758750086996319e-19 7.05593783083698e-19 7.32566426717088e-19 7.564676977430999e-19 7.77529911773664e-19 7.961343868476719e-19 8.124189101556479e-19 8.26024594131576e-19 8.36147146105188e-19 8.4221619119478e-19 8.44814921695128e-19 8.456544622513439e-19 8.46769577188608e-19 8.486393173204859e-19 8.504433682103699e-19 8.512396499974679e-19 8.507333621811238e-19 8.488492024595399e-19 8.44904643586632e-19 8.379976601174579e-19 8.2695545875593e-19 8.102719934660879e-19 7.860422762301059e-19 7.518806660399579e-19 7.048439644189859e-19 6.4152754601994e-19 5.585203767890339e-19 4.531388108643179e-19 3.1964224936616995e-19 1.351282181822136e-19 -1.8608160080266197e-19 -9.678364523601839e-19 -3.57274174145562e-18 -1.5221142654223858e-17 ] } }