{ "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" [ 10.9408 10.207731 9.753404 9.423311 9.163898 8.950171 8.768422 8.610316 8.470404 8.344927 8.231184 8.127165 8.03134 7.942509 7.859723 7.782209 7.709337 7.640582 7.575503 7.513727 7.454936 7.398853 7.345241 7.29389 7.258931 7.222139 7.183309 7.142204 7.09854 7.051976 7.0021 6.948405 6.890258 6.826851 6.757139 6.679727 6.592701 6.49333 6.377522 6.238742 6.065564 5.83511 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.09408e-09 1.0207731000000001e-09 9.753404e-10 9.423311000000001e-10 9.163898e-10 8.950171e-10 8.768421999999999e-10 8.610316e-10 8.470404e-10 8.344927e-10 8.231184000000001e-10 8.127165e-10 8.03134e-10 7.942509000000001e-10 7.859723e-10 7.782209e-10 7.709337e-10 7.640582000000001e-10 7.575503e-10 7.513727000000001e-10 7.454936e-10 7.398853e-10 7.345241e-10 7.293890000000001e-10 7.258931e-10 7.222139e-10 7.183309e-10 7.142204000000001e-10 7.09854e-10 7.051976e-10 7.002100000000001e-10 6.948405e-10 6.890258000000001e-10 6.826850999999999e-10 6.757138999999999e-10 6.679727e-10 6.592701e-10 6.493330000000001e-10 6.377522e-10 6.238742e-10 6.065564e-10 5.835110000000001e-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" [ 2.64086 3.95848 5.11651 6.17786 7.16993 8.09925 8.97594 9.80003 10.5741 11.2998 11.9786 12.6119 13.1979 13.7365 14.2293 14.6753 15.0722 15.419 15.7149 15.9588 16.1499 16.287 16.3714 16.3999 16.3855 16.3372 16.2453 16.0969 15.8757 15.5579 15.1109 14.4889 13.6259 12.4235 10.7312 8.3097 4.7557 -0.643163 -9.26005 -24.0261 -52.1683 -116.258 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.231124150805888e-19 6.342184109904385e-19 8.197552702089408e-19 9.898022858575488e-19 1.1487494218772545e-18 1.29764289960144e-18 1.4381041217703553e-18 1.5701378949138624e-18 1.694157580600128e-18 1.810427537971584e-18 1.919183286991488e-18 2.020649132386752e-18 2.114536682365632e-18 2.20082991516192e-18 2.279785179034944e-18 2.3512422563226243e-18 2.4148326464021763e-18 2.4703961316115204e-18 2.5178045378209923e-18 2.5568816256023043e-18 2.587499220825792e-18 2.60946506229696e-18 2.6229874329765122e-18 2.627553636345792e-18 2.62524650201184e-18 2.617507988933376e-18 2.6027839857882242e-18 2.5790076847355524e-18 2.5435675378834562e-18 2.492650364874432e-18 2.4210330699246724e-18 2.321377684110912e-18 2.1831098417358722e-18 1.99046412485088e-18 1.719327775312896e-18 1.331360706586176e-18 7.61947135553856e-19 -1.0304607219635905e-19 -1.483623561743904e-18 -3.849405570900288e-18 -8.358283060688065e-18 -1.862658495809664e-17 ] } }