{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 8.79556 8.206226 7.84098 7.575609 7.36706 7.195239 7.049126 6.922021 6.809542 6.708667 6.617226 6.533603 6.456566 6.385153 6.318598 6.256283 6.197699 6.142425 6.090106 6.040443 5.993179 5.948093 5.904992 5.86371 5.835606 5.806028 5.774812 5.741767 5.706664 5.669231 5.629135 5.585969 5.539223 5.488249 5.432206 5.369973 5.300011 5.220125 5.127025 5.015457 4.876236 4.69097 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.795560000000001e-10 8.206225999999999e-10 7.84098e-10 7.575609e-10 7.367060000000001e-10 7.195239e-10 7.049126e-10 6.922021e-10 6.809542000000001e-10 6.708667000000001e-10 6.617226e-10 6.533603000000001e-10 6.456566e-10 6.385153e-10 6.318598e-10 6.256283e-10 6.197699e-10 6.142425e-10 6.090105999999999e-10 6.040443e-10 5.993179e-10 5.948093e-10 5.904992e-10 5.86371e-10 5.835606000000001e-10 5.806028000000001e-10 5.774812e-10 5.741767000000001e-10 5.706664e-10 5.669231e-10 5.629135e-10 5.585969000000001e-10 5.539223e-10 5.488249e-10 5.432206e-10 5.369973e-10 5.300011e-10 5.220125e-10 5.127025e-10 5.015457e-10 4.876235999999999e-10 4.69097e-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" [ 4.08828 3.48559 2.31614 2.30868 3.06859 3.05876 3.17458 3.30579 3.31553 3.30838 3.41538 3.6764 4.01202 4.31943 4.54942 4.70213 4.80507 4.86811 4.90385 4.92674 4.94648 4.96523 4.9796 4.98526 4.98182 4.96971 4.94697 4.91295 4.86744 4.81092 4.74721 4.67607 4.59355 4.49224 4.35886 4.17728 3.92676 3.56484 3.09714 1.5191 -1.37905 -8.76027 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.55014668924952e-19 5.58453085370406e-19 3.7108653890727595e-19 3.6989131513831194e-19 4.916423197326059e-19 4.900673801013839e-19 5.08623789876372e-19 5.296459494910859e-19 5.312064695326019e-19 5.30060913239292e-19 5.472042032230919e-19 5.8902421772376e-19 6.427964699140679e-19 6.920489818198619e-19 7.288974422252279e-19 7.533642816030421e-19 7.698570878734379e-19 7.799572093741739e-19 7.8568338866409e-19 7.893507709793159e-19 7.92513467654832e-19 7.95517548843582e-19 7.978198766666399e-19 7.98726708641484e-19 7.981755598793879e-19 7.962353239756139e-19 7.92591974309898e-19 7.8714136940103e-19 7.79849863539696e-19 7.70794361204328e-19 7.605868938691139e-19 7.49189009294838e-19 7.359678477110699e-19 7.197361962320159e-19 6.983663642877239e-19 6.692740409675519e-19 6.291363119325839e-19 5.711503351948559e-19 4.96216534022676e-19 2.4338665247094e-19 -2.2094816871177e-19 -1.403549990153118e-18 ] } }