{ "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" [ 3.59226 3.351565 3.202392 3.09401 3.008835 2.93866 2.878985 2.827073 2.781135 2.739936 2.702589 2.668436 2.636973 2.607807 2.580624 2.555174 2.531247 2.508672 2.487304 2.467021 2.447717 2.429303 2.4117 2.39484 2.383362 2.371282 2.358532 2.345036 2.330699 2.315411 2.299035 2.281405 2.262313 2.241494 2.218605 2.193188 2.164614 2.131987 2.093963 2.048397 1.991536 1.91587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.5922600000000003e-10 3.351565e-10 3.2023920000000003e-10 3.09401e-10 3.0088350000000003e-10 2.93866e-10 2.8789850000000005e-10 2.827073e-10 2.781135e-10 2.739936e-10 2.702589e-10 2.668436e-10 2.636973e-10 2.607807e-10 2.580624e-10 2.555174e-10 2.531247e-10 2.5086719999999997e-10 2.487304e-10 2.467021e-10 2.447717e-10 2.429303e-10 2.4117e-10 2.39484e-10 2.383362e-10 2.371282e-10 2.358532e-10 2.345036e-10 2.330699e-10 2.3154110000000002e-10 2.299035e-10 2.281405e-10 2.2623129999999998e-10 2.2414939999999999e-10 2.2186050000000003e-10 2.1931880000000003e-10 2.164614e-10 2.1319870000000002e-10 2.093963e-10 2.0483970000000002e-10 1.9915360000000002e-10 1.91587e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.120981 1.39913 1.65077 1.85432 2.0251 2.17139 2.29825 2.4091 2.50638 2.59192 2.66711 2.73307 2.7907 2.84075 2.88386 2.92055 3.03773 3.19807 3.24753 3.26813 3.28336 3.29397 3.30018 3.3022 3.30122 3.29799 3.29199 3.28256 3.26887 3.24981 3.22394 3.1893 3.14324 3.08199 3.00017 2.88976 2.73834 2.52574 2.21704 1.75213 0.981603 -0.441993 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.938329297610048e-20 2.241653375459904e-19 2.644825100318016e-19 2.970948151481856e-19 3.2445678747820803e-19 3.4789502926389126e-19 3.6822024187536003e-19 3.8598036971692803e-19 4.0156634388407044e-19 4.1527136269839363e-19 4.2731812871018886e-19 4.378860857009856e-19 4.471194295666561e-19 4.5513832355376e-19 4.620453069660288e-19 4.67923692987744e-19 4.866979986302784e-19 5.123872985681856e-19 5.203116641346624e-19 5.236121479735104e-19 5.260522629669888e-19 5.277521723616576e-19 5.287471240431744e-19 5.29070763720576e-19 5.289137504117376e-19 5.2839624736321925e-19 5.274349413907393e-19 5.259240888373249e-19 5.237307090434497e-19 5.206769604042048e-19 5.165321294861952e-19 5.10982189671744e-19 5.036025641563392e-19 4.937892323539392e-19 4.806802232425536e-19 4.629905911723008e-19 4.387304327801473e-19 4.046681578219392e-19 3.552089655378432e-19 2.807221722602304e-19 1.5727013775071426e-19 -7.081508511572545e-20 ] } }