{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.32535 7.76752 7.421799 7.170615 6.973214 6.810579 6.672277 6.551966 6.4455 6.350018 6.263465 6.184312 6.111393 6.043798 5.980801 5.921817 5.866365 5.814045 5.764524 5.717515 5.672778 5.630102 5.589305 5.55023 5.523628 5.495631 5.466084 5.434806 5.401579 5.366147 5.328194 5.287336 5.243088 5.194839 5.141792 5.082886 5.016664 4.941048 4.852925 4.747322 4.615542 4.44018 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.325350000000001e-10 7.76752e-10 7.421799e-10 7.170615e-10 6.973214e-10 6.810579e-10 6.672277000000001e-10 6.551966e-10 6.4455e-10 6.350018e-10 6.263465e-10 6.184312000000001e-10 6.111393e-10 6.043798e-10 5.980801e-10 5.921817e-10 5.866365000000001e-10 5.814045000000001e-10 5.764523999999999e-10 5.717515e-10 5.672778000000001e-10 5.630102e-10 5.589305000000001e-10 5.55023e-10 5.523628000000001e-10 5.495631000000001e-10 5.466084e-10 5.434806000000001e-10 5.401579e-10 5.366147e-10 5.328194e-10 5.287336e-10 5.243088000000001e-10 5.194839000000001e-10 5.141792e-10 5.082886000000001e-10 5.016664e-10 4.941048000000001e-10 4.852925000000001e-10 4.747322e-10 4.6155419999999997e-10 4.44018e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.95938 2.7087 3.15032 3.46662 3.71126 3.90395 4.0546 4.18384 4.31572 4.44453 4.56714 4.68155 4.78604 4.87916 4.95987 5.02763 5.08243 5.12474 5.15542 5.17556 5.18638 5.19207 5.19627 5.1979 5.19694 5.19347 5.18632 5.17394 5.15418 5.12408 5.07962 5.01525 4.9233 4.79313 4.60981 4.35215 3.98941 3.47549 2.73725 1.64699 -0.0804079 -3.24692 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.139272827263104e-19 4.3398158127609605e-19 5.047369052038656e-19 5.554137517197696e-19 5.946094005710208e-19 6.254817418772161e-19 6.49618532669568e-19 6.703250633167873e-19 6.914545685918976e-19 7.120922056444225e-19 7.317364931920513e-19 7.50066995910624e-19 7.668081394213632e-19 7.817276081142528e-19 7.946587756207295e-19 8.055151244032704e-19 8.142950522852544e-19 8.210738615678592e-19 8.259893394404737e-19 8.292161231547648e-19 8.309496782584704e-19 8.318613167557057e-19 8.325342309364417e-19 8.32795385725632e-19 8.326415767700352e-19 8.320856214826176e-19 8.309400651987457e-19 8.289565705421952e-19 8.2579066953949445e-19 8.209681179108865e-19 8.138448406548096e-19 8.0353162974672e-19 7.887996157184641e-19 7.679440826455104e-19 7.385729808330049e-19 6.97291298021472e-19 6.391739432785729e-19 5.568348823824193e-19 4.3855579552848e-19 2.638768872691392e-19 -1.2882765750762433e-20 -5.202139313607936e-19 ] } }