{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.4692 5.102743 4.875627 4.710616 4.580936 4.474096 4.38324 4.304204 4.234263 4.171538 4.114678 4.06268 4.014777 3.970371 3.928987 3.890238 3.85381 3.819439 3.786907 3.756025 3.726636 3.6986 3.6718 3.64613 3.628655 3.610262 3.590852 3.570304 3.548476 3.525199 3.500267 3.473426 3.444358 3.412662 3.377813 3.339116 3.295612 3.245938 3.188046 3.118672 3.032102 2.9169 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.4692e-10 5.102743000000001e-10 4.875627e-10 4.710616e-10 4.5809360000000003e-10 4.4740960000000004e-10 4.38324e-10 4.304204000000001e-10 4.2342630000000007e-10 4.171538e-10 4.114678e-10 4.06268e-10 4.014777e-10 3.970371e-10 3.928987e-10 3.8902380000000004e-10 3.8538100000000003e-10 3.8194390000000003e-10 3.786907e-10 3.7560250000000005e-10 3.7266360000000004e-10 3.6986e-10 3.6718e-10 3.64613e-10 3.628655e-10 3.610262e-10 3.590852e-10 3.5703040000000003e-10 3.5484760000000003e-10 3.525199e-10 3.500267e-10 3.473426e-10 3.444358e-10 3.4126620000000003e-10 3.3778130000000005e-10 3.3391160000000003e-10 3.295612e-10 3.2459380000000004e-10 3.188046e-10 3.118672e-10 3.0321020000000004e-10 2.9169e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.09194 1.54229 1.88651 2.16576 2.40666 2.61333 2.7925 2.94883 3.08569 3.2102 3.32242 3.42145 3.50859 3.58487 3.65118 3.70829 3.75682 3.79839 3.83286 3.86028 3.88106 3.89553 3.90402 3.90679 3.90544 3.90102 3.8928 3.87989 3.86401 3.84427 3.81606 3.77688 3.7233 3.65051 3.55151 3.41588 3.22865 2.9629 2.57238 1.97481 0.998166 -0.823167 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.749480739316352e-19 2.471020980493632e-19 3.022522216905408e-19 3.4699300382638086e-19 3.8558943862145283e-19 4.1870162284352643e-19 4.474078213584001e-19 4.724546484713665e-19 4.943820377036352e-19 5.143307388092161e-19 5.323103648478336e-19 5.48176719923616e-19 5.621380869972672e-19 5.743594902607297e-19 5.849835234332545e-19 5.941335541146432e-19 6.019089172553856e-19 6.085691654680512e-19 6.140918682799488e-19 6.1848503657418245e-19 6.218143595922049e-19 6.241327091625024e-19 6.254929571135617e-19 6.259367600375232e-19 6.2572046619371525e-19 6.250123041273217e-19 6.23695314945024e-19 6.216269049275712e-19 6.190826484537408e-19 6.159199518042816e-19 6.114002115570048e-19 6.051228835567104e-19 5.965384212224641e-19 5.848761775996609e-19 5.690146290537408e-19 5.472843075458305e-19 5.172867546745921e-19 4.74708910976832e-19 4.121407095813504e-19 3.163994412522048e-19 1.5992382288774528e-19 -1.3188589224140736e-19 ] } }