{ "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" [ "Bi" "Bi" ] } "a" { "source-value" [ 6.12471 5.714332 5.459996 5.275207 5.129986 5.010339 4.908595 4.820086 4.741762 4.671519 4.607845 4.549614 4.49597 4.446242 4.399898 4.356505 4.315711 4.277221 4.240789 4.206207 4.173295 4.141899 4.111886 4.08314 4.054079 4.024131 3.99324 3.961347 3.928382 3.894272 3.858934 3.822276 3.784196 3.74458 3.703297 3.660203 3.615129 3.567886 3.518255 3.46598 3.410764 3.352258 3.290042 3.223616 3.152367 3.07554 2.992186 2.901094 2.800678 2.688809 2.562534 2.417587 2.247471 2.04157 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.124710000000001e-10 5.714331999999999e-10 5.459996000000001e-10 5.275207e-10 5.129986e-10 5.010339e-10 4.908595e-10 4.820086e-10 4.741761999999999e-10 4.671519e-10 4.607845e-10 4.5496140000000003e-10 4.49597e-10 4.446242e-10 4.3998980000000004e-10 4.3565050000000005e-10 4.3157110000000003e-10 4.277221e-10 4.2407890000000006e-10 4.206207e-10 4.1732950000000004e-10 4.1418990000000007e-10 4.111886e-10 4.0831400000000004e-10 4.054079e-10 4.0241309999999996e-10 3.99324e-10 3.961347e-10 3.928382e-10 3.894272e-10 3.8589340000000005e-10 3.822276e-10 3.7841960000000005e-10 3.74458e-10 3.703297e-10 3.6602030000000004e-10 3.615129e-10 3.5678860000000003e-10 3.5182550000000003e-10 3.46598e-10 3.410764e-10 3.352258e-10 3.2900420000000005e-10 3.223616e-10 3.152367e-10 3.07554e-10 2.992186e-10 2.901094e-10 2.800678e-10 2.6888090000000003e-10 2.562534e-10 2.417587e-10 2.247471e-10 2.0415700000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.33784 0.549914 0.786878 0.97994 1.13839 1.28089 1.40952 1.52583 1.63104 1.72611 1.81184 1.88888 1.95781 2.01912 2.07323 2.12052 2.16133 2.19594 2.22465 2.24768 2.26526 2.27759 2.28486 2.28725 2.28465 2.27618 2.26067 2.23673 2.20266 2.15641 2.09547 2.01677 1.91652 1.79001 1.63135 1.43314 1.18594 0.877682 0.49275 0.0106669 -0.595683 -1.36272 -2.34019 -3.59712 -5.23128 -7.38432 -10.2669 -14.202 -19.7031 -27.6232 -39.4573 -58.0074 -89.006 -145.652 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.4127935403055994e-20 8.81059361509476e-20 1.260717545408652e-19 1.57003697072196e-19 1.8239018583792599e-19 2.05221202872426e-19 2.25830000915568e-19 2.4446491734562197e-19 2.61321417711936e-19 2.76553310971374e-19 2.9028877125465595e-19 3.0263194004299197e-19 3.13675743581154e-19 3.2349868852420797e-19 3.32168066290782e-19 3.3974475959296795e-19 3.46283242436322e-19 3.5182837576659594e-19 3.5642822488280996e-19 3.60118037670912e-19 3.62934664193484e-19 3.64910147983206e-19 3.66074930396124e-19 3.6645785061164996e-19 3.6604128468681e-19 3.64684241077812e-19 3.62199265118478e-19 3.58363654256682e-19 3.5290503846464394e-19 3.45494971532394e-19 3.35731307124798e-19 3.23122177015218e-19 3.0706035625936796e-19 2.86791219662634e-19 2.6137108518758998e-19 2.29614342125076e-19 1.9000853573259598e-19 1.4062015924823877e-19 7.894725364034999e-20 1.7090257937214597e-21 -9.543893838710219e-20 -2.1833181426844795e-19 -3.7493977371204603e-19 -5.76322161369408e-19 -8.38143458191152e-19 -1.1830984961978879e-18 -1.6449387283614598e-18 -2.2754112556067997e-18 -3.1567846437365397e-18 -4.42572455963088e-18 -6.321756410072819e-18 -9.293810087909159e-18 -1.4260333348580398e-17 -2.3336023109536796e-17 ] } }