{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.59167 3.351016 3.201867 3.093503 3.008343 2.938179 2.878514 2.826611 2.78068 2.739488 2.702148 2.668001 2.636542 2.607381 2.580203 2.554757 2.530834 2.508263 2.486899 2.466619 2.447319 2.428908 2.411308 2.39445 2.382974 2.370895 2.358148 2.344654 2.33032 2.315034 2.298661 2.281034 2.261945 2.24113 2.218245 2.192832 2.164263 2.131641 2.093624 2.048065 1.991214 1.91556 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.5916700000000004e-10 3.351016e-10 3.201867e-10 3.093503e-10 3.008343e-10 2.938179e-10 2.8785140000000003e-10 2.826611e-10 2.78068e-10 2.739488e-10 2.702148e-10 2.668001e-10 2.636542e-10 2.6073810000000004e-10 2.580203e-10 2.554757e-10 2.530834e-10 2.508263e-10 2.486899e-10 2.4666190000000004e-10 2.447319e-10 2.4289079999999997e-10 2.411308e-10 2.39445e-10 2.382974e-10 2.370895e-10 2.358148e-10 2.344654e-10 2.33032e-10 2.315034e-10 2.2986610000000003e-10 2.2810340000000002e-10 2.2619449999999998e-10 2.2411300000000001e-10 2.218245e-10 2.1928320000000003e-10 2.164263e-10 2.1316410000000003e-10 2.0936240000000003e-10 2.0480649999999998e-10 1.9912140000000001e-10 1.91556e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06369 1.4 1.65172 1.97585 2.16144 2.32088 2.4596 2.58128 2.68852 2.78326 2.86702 2.94098 3.00611 3.0632 3.11499 3.15942 3.19619 3.22705 3.2524 3.27255 3.2878 3.29842 3.30464 3.30667 3.30569 3.30245 3.29644 3.287 3.27328 3.2542 3.22829 3.1936 3.14747 3.08614 3.00421 2.89364 2.74202 2.52912 2.22001 1.74889 0.976574 -0.448922 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.704219249778752e-19 2.24304726912e-19 2.6463471681077764e-19 3.1656606762076805e-19 3.4630086352619517e-19 3.718459675682304e-19 3.94071361651968e-19 4.135666467738624e-19 4.307483888553216e-19 4.459274101607808e-19 4.593472415366017e-19 4.711969398240384e-19 4.816319161553088e-19 4.9077874248345605e-19 4.990764152025792e-19 5.061948859287936e-19 5.120860893634752e-19 5.170304064152641e-19 5.21091924148992e-19 5.24320310039904e-19 5.26763629386624e-19 5.284651409579137e-19 5.294616948160512e-19 5.297869366700736e-19 5.296299233612352e-19 5.29110818136096e-19 5.281479099869953e-19 5.266354552569601e-19 5.244372689332225e-19 5.21380315940736e-19 5.172290763162432e-19 5.11671125618688e-19 5.042802848669377e-19 4.944541356515712e-19 4.813275025973568e-19 4.636122357011712e-19 4.393200337766016e-19 4.052096935197696e-19 3.556848119942208e-19 2.8020306703509125e-19 1.5646440312811394e-19 -7.192523329627777e-20 ] } }