{ "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" [ 4.93789 4.607034 4.401982 4.253002 4.135921 4.039459 3.957431 3.886073 3.822926 3.766295 3.714959 3.668012 3.624763 3.584671 3.547307 3.512323 3.479434 3.448402 3.41903 3.391149 3.364615 3.339303 3.315106 3.29193 3.2685 3.244355 3.219451 3.193737 3.16716 3.139659 3.111169 3.081614 3.050913 3.018973 2.98569 2.950946 2.914607 2.876518 2.836504 2.794358 2.749842 2.702672 2.652513 2.598958 2.541515 2.479575 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.937890000000001e-10 4.6070339999999997e-10 4.4019820000000004e-10 4.2530020000000003e-10 4.135921e-10 4.039459e-10 3.9574310000000003e-10 3.8860730000000003e-10 3.822926e-10 3.766295e-10 3.714959e-10 3.6680120000000004e-10 3.6247630000000003e-10 3.584671e-10 3.547307e-10 3.512323e-10 3.479434e-10 3.4484020000000003e-10 3.41903e-10 3.391149e-10 3.364615e-10 3.3393030000000005e-10 3.315106e-10 3.29193e-10 3.2685e-10 3.2443550000000003e-10 3.219451e-10 3.193737e-10 3.16716e-10 3.139659e-10 3.111169e-10 3.0816140000000003e-10 3.0509130000000003e-10 3.018973e-10 2.9856900000000003e-10 2.9509460000000003e-10 2.914607e-10 2.876518e-10 2.836504e-10 2.794358e-10 2.749842e-10 2.7026720000000003e-10 2.652513e-10 2.598958e-10 2.541515e-10 2.479575e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10948 1.67793 2.14038 2.53547 2.88361 3.18799 3.44927 3.67372 3.86583 4.0314 4.17416 4.29748 4.40395 4.4956 4.5739 4.64001 4.69492 4.73968 4.77542 4.80333 4.82437 4.83895 4.84744 4.85018 4.84734 4.83801 4.82129 4.79604 4.76049 4.71264 4.65015 4.57018 4.46931 4.34327 4.18719 3.99385 3.75529 3.45998 3.09379 2.63807 2.0684 1.35181 0.442243 -0.72831 -2.25799 -4.28683 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7775829318903199e-19 2.68834023948762e-19 3.4292668238809196e-19 4.0622707902079797e-19 4.62005256356874e-19 5.10772308742566e-19 5.526339798357179e-19 5.88594834385848e-19 6.193742497016219e-19 6.459014882307599e-19 6.687741618577439e-19 6.8853220410823195e-19 7.0559057873043e-19 7.202745275810399e-19 7.3281957062526e-19 7.43411560352634e-19 7.522091122499279e-19 7.593804548637119e-19 7.65106634153628e-19 7.695783091391219e-19 7.72949288777058e-19 7.752852623094299e-19 7.766455102716959e-19 7.77084506669412e-19 7.766294885053559e-19 7.751346577058339e-19 7.72455818373786e-19 7.684103223729359e-19 7.627145844390659e-19 7.55048169245376e-19 7.4503616745951e-19 7.322235609174119e-19 7.16062405210254e-19 6.95868570915318e-19 6.70861798011846e-19 6.3988531497009e-19 6.01663789189386e-19 5.543499110107319e-19 4.956798048502859e-19 4.2266541128563794e-19 3.3139421497656e-19 2.1658383956075398e-19 7.085514011500619e-20 -1.16688126430854e-19 -3.61769881780566e-19 -6.868258859930219e-19 ] } }