{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.89278 8.296931 7.927647 7.659343 7.448489 7.274768 7.127041 6.99853 6.884807 6.782818 6.690366 6.605818 6.527929 6.455727 6.388437 6.325433 6.266201 6.210316 6.157419 6.107207 6.05942 6.013835 5.970258 5.92852 5.886324 5.842841 5.79799 5.751682 5.703819 5.654292 5.602983 5.549758 5.494468 5.436947 5.377007 5.314436 5.248991 5.180397 5.108334 5.032433 4.952263 4.867314 4.77698 4.680533 4.577082 4.465533 4.344509 4.212247 4.066448 3.90402 3.720675 3.510218 3.263218 2.96426 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.89278e-10 8.296931000000001e-10 7.927647000000001e-10 7.659343e-10 7.448489e-10 7.274768e-10 7.127041e-10 6.99853e-10 6.884807000000001e-10 6.782818e-10 6.690366e-10 6.605818000000001e-10 6.527929000000001e-10 6.455727000000001e-10 6.388437e-10 6.325433000000001e-10 6.266201e-10 6.210316e-10 6.157419e-10 6.107207000000001e-10 6.059420000000001e-10 6.013835e-10 5.970258000000001e-10 5.92852e-10 5.886324e-10 5.842841e-10 5.797990000000001e-10 5.751682e-10 5.703819e-10 5.654292e-10 5.602983e-10 5.549758e-10 5.494468e-10 5.436947000000001e-10 5.377007e-10 5.314436e-10 5.248991e-10 5.180397e-10 5.108334e-10 5.032433e-10 4.952263e-10 4.867314000000001e-10 4.77698e-10 4.680533e-10 4.577082e-10 4.465533e-10 4.3445090000000006e-10 4.2122469999999997e-10 4.0664480000000003e-10 3.9040200000000003e-10 3.720675e-10 3.510218e-10 3.263218e-10 2.96426e-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" [ 1.04757 1.3953 1.62889 1.81716 1.98214 2.13127 2.26756 2.39255 2.50714 2.612 2.70766 2.79454 2.87303 2.94346 3.00613 3.06131 3.10926 3.15021 3.18436 3.21193 3.23308 3.248 3.25684 3.25976 3.25657 3.24613 3.22692 3.19714 3.15454 3.09642 3.01945 2.91951 2.79148 2.62899 2.42399 2.16629 1.84285 1.43682 0.926244 0.282143 -0.534178 -1.57517 -2.913 -4.64876 -6.92705 -9.95931 -14.0633 -19.732 -27.7579 -39.4752 -57.2541 -85.6064 -133.92 -224.233 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6783921764793797e-19 2.2355170574201997e-19 2.6097694973562595e-19 2.91141129223944e-19 3.1757383933167598e-19 3.41467099474518e-19 3.63303164819304e-19 3.8332877056766997e-19 4.01688112616676e-19 4.184885368008e-19 4.33814958481644e-19 4.47734669077836e-19 4.603101534781019e-19 4.71594283511364e-19 4.81635124476642e-19 4.90475935143054e-19 4.9815837210308395e-19 5.04719285419314e-19 5.101907186244239e-19 5.14607919604362e-19 5.17996523185272e-19 5.203869707232e-19 5.21803294867656e-19 5.22271130444784e-19 5.21760036098538e-19 5.200873636926419e-19 5.170095823787279e-19 5.12238300362676e-19 5.05413027901836e-19 4.96101177305028e-19 4.8376922375313e-19 4.67757070472934e-19 4.47244403027832e-19 4.2121063490196595e-19 3.8836601390496597e-19 3.47077922046786e-19 2.9525712099669e-19 2.30203943126388e-19 1.484006494182696e-19 4.5204292204666196e-20 -8.55847509996852e-20 -2.52370056857778e-19 -4.667140534842e-19 -7.44813464907384e-19 -1.10983576525497e-18 -1.595657377276254e-18 -2.2531890656932197e-18 -3.1614149342087998e-18 -4.4473058788908594e-18 -6.3246243062476795e-18 -9.17311812206994e-18 -1.3715657380085758e-17 -2.1456349482527996e-17 -3.59260873171722e-17 ] } }