{ "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 5.510727 5.470018 5.428029 5.384675 5.339866 5.2935 5.245465 5.195636 5.143874 5.090023 5.033907 4.975328 4.91406 4.849842 4.782377 4.71132 4.636265 4.556737 4.472167 4.381873 4.285023 4.180592 4.067289 3.943467 3.806971 3.654907 3.48326 3.286233 3.054993 2.77511 ] "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 5.510727000000001e-10 5.470018e-10 5.428029e-10 5.384675e-10 5.339866e-10 5.2935e-10 5.245465e-10 5.195636e-10 5.143874e-10 5.090023e-10 5.033907000000001e-10 4.975328e-10 4.91406e-10 4.849842e-10 4.782377000000001e-10 4.71132e-10 4.636265e-10 4.5567370000000003e-10 4.472167e-10 4.381873e-10 4.285023e-10 4.180592e-10 4.0672889999999996e-10 3.943467e-10 3.806971e-10 3.654907e-10 3.48326e-10 3.286233e-10 3.054993e-10 2.77511e-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 5.19569 5.18751 5.17051 5.14108 5.09476 5.02615 4.92887 4.79555 4.61785 4.38655 4.09156 3.72192 3.26555 2.70864 2.03449 1.22156 0.225386 -1.02446 -2.58877 -4.54566 -7.01633 -10.3144 -14.8721 -21.4385 -31.3747 -48.0463 -78.6836 -141.271 -282.892 -678.712 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1392728531269196e-19 4.3398158485158e-19 5.047369093622879e-19 5.554137562957079e-19 5.94609405469884e-19 6.254817470304299e-19 6.496185380216399e-19 6.703250688394559e-19 6.914545742886479e-19 7.12092211511202e-19 7.31736499220676e-19 7.500670020902699e-19 7.66808145738936e-19 7.817276145547439e-19 7.946587821677579e-19 8.05515131039742e-19 8.142950589940619e-19 8.21073868332516e-19 8.25989346245628e-19 8.292161299865039e-19 8.309496851044919e-19 8.31861323609238e-19 8.325342377955179e-19 8.327953925868599e-19 8.32441311550746e-19 8.311307310641339e-19 8.2840703078633395e-19 8.236918249524719e-19 8.162705427837839e-19 8.0527800889791e-19 7.896920346023579e-19 7.6833181571787e-19 7.398611369316899e-19 7.028027913872699e-19 6.55540182860904e-19 5.96317325761728e-19 5.2319879071587e-19 4.339719717917759e-19 3.2596123401066597e-19 1.9571548890290398e-19 3.61108182830724e-20 -1.6413658744676398e-19 -4.1476668048001794e-19 -7.282950238108439e-19 -1.124139998243322e-18 -1.6525490673729597e-18 -2.3827731118511397e-18 -3.4348263768009e-18 -5.02678112387598e-18 -7.69786592101542e-18 -1.2606502539900239e-17 -2.2634109526181396e-17 -4.5324295234552795e-17 -1.087416507615408e-16 ] } }