{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.19217 3.911279 3.737194 3.610712 3.511313 3.429419 3.359778 3.299196 3.245586 3.197507 3.153924 3.114067 3.077349 3.043312 3.011591 2.98189 2.953967 2.927622 2.902686 2.879015 2.856488 2.834999 2.814456 2.79478 2.781385 2.767287 2.752409 2.736659 2.719928 2.702086 2.682975 2.662401 2.64012 2.615825 2.589113 2.559451 2.526106 2.48803 2.443656 2.39048 2.324123 2.23582 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.19217e-10 3.9112790000000003e-10 3.7371940000000004e-10 3.610712e-10 3.511313e-10 3.4294190000000004e-10 3.359778e-10 3.299196e-10 3.245586e-10 3.197507e-10 3.153924e-10 3.114067e-10 3.077349e-10 3.043312e-10 3.0115910000000005e-10 2.98189e-10 2.953967e-10 2.927622e-10 2.9026860000000004e-10 2.879015e-10 2.856488e-10 2.8349989999999997e-10 2.814456e-10 2.79478e-10 2.781385e-10 2.7672870000000004e-10 2.752409e-10 2.736659e-10 2.719928e-10 2.702086e-10 2.682975e-10 2.6624010000000003e-10 2.64012e-10 2.615825e-10 2.5891130000000004e-10 2.559451e-10 2.526106e-10 2.4880300000000004e-10 2.443656e-10 2.39048e-10 2.3241230000000004e-10 2.23582e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.561951 1.17713 1.72465 2.19666 2.56588 2.84586 3.06247 3.24279 3.39851 3.53328 3.64767 3.74397 3.82493 3.89275 3.94915 3.99548 4.03301 4.06308 4.08724 4.1068 4.12261 4.13454 4.14197 4.14449 4.14328 4.13943 4.13253 4.12209 4.10747 4.08775 4.0616 4.02718 3.98199 3.92238 3.84384 3.74056 3.59953 3.39288 3.08647 2.63769 2.02364 1.36936 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.003447616529339e-20 1.8859701811804199e-19 2.7631939318281e-19 3.5194373248424397e-19 4.1109929816479197e-19 4.559570395635239e-19 4.906617876325979e-19 5.195522366968859e-19 5.44501331241534e-19 5.66093865737952e-19 5.84421164254278e-19 5.998501252396979e-19 6.12821347268562e-19 6.236873092003499e-19 6.3272358541611e-19 6.40146469761432e-19 6.461594386688339e-19 6.50977183807272e-19 6.548480425550161e-19 6.579819000511199e-19 6.605149413094739e-19 6.62426338033836e-19 6.636167552728979e-19 6.64020503784666e-19 6.638266404119519e-19 6.63209802407862e-19 6.62104300530402e-19 6.60431628124506e-19 6.58089245885598e-19 6.549297535633499e-19 6.5074006166544e-19 6.45225369691212e-19 6.37985133482166e-19 6.284345585668919e-19 6.15851063283456e-19 5.993037830075039e-19 5.76708285938202e-19 5.4359930579659195e-19 4.945070115541979e-19 4.2260452857354596e-19 3.2422287236277596e-19 2.1939565955342396e-19 ] } }