{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.75328 7.233781 6.911816 6.677892 6.494055 6.342595 6.213796 6.101753 6.002602 5.913681 5.833075 5.759361 5.691453 5.628503 5.569835 5.514904 5.463262 5.414537 5.368419 5.32464 5.282977 5.243233 5.20524 5.16885 5.132061 5.09415 5.055046 5.014671 4.972941 4.929761 4.885026 4.838621 4.790416 4.740266 4.688006 4.633452 4.576393 4.516589 4.45376 4.387585 4.317687 4.243624 4.164865 4.080775 3.990581 3.893325 3.787808 3.672495 3.545378 3.403762 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.75328e-10 7.233781e-10 6.911816e-10 6.677892e-10 6.494055e-10 6.342595000000001e-10 6.213796000000001e-10 6.101753000000001e-10 6.002602e-10 5.913681000000001e-10 5.833075000000001e-10 5.759361000000001e-10 5.691453e-10 5.628503000000001e-10 5.569835000000001e-10 5.514903999999999e-10 5.463262e-10 5.414537000000001e-10 5.368419000000001e-10 5.32464e-10 5.282977e-10 5.243233e-10 5.20524e-10 5.16885e-10 5.132061e-10 5.09415e-10 5.055046e-10 5.014671e-10 4.972941e-10 4.929761e-10 4.885026e-10 4.838621e-10 4.790415999999999e-10 4.740266e-10 4.688006e-10 4.6334520000000003e-10 4.5763930000000007e-10 4.516589e-10 4.4537600000000003e-10 4.387585e-10 4.3176870000000005e-10 4.2436239999999996e-10 4.164865e-10 4.0807750000000003e-10 3.9905810000000003e-10 3.893325e-10 3.787808e-10 3.672495e-10 3.545378e-10 3.403762e-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" [ 0.741743 1.04958 1.29387 1.51002 1.71844 1.91909 2.10011 2.25566 2.38782 2.50111 2.59959 2.68639 2.76378 2.83333 2.89598 2.95215 3.00182 3.0448 3.08086 3.1099 3.13196 3.14728 3.15618 3.15905 3.15602 3.1464 3.1293 3.10378 3.06883 3.02336 2.96619 2.89608 2.81177 2.7118 2.59356 2.45347 2.28683 2.08746 1.8469 1.55415 1.19511 0.752163 0.201984 -0.489071 -1.37119 -2.51542 -4.01983 -6.03184 -8.81221 -12.8252 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.188403303033062e-19 1.68161255151372e-19 2.07300828143358e-19 2.41931876087268e-19 2.75324441493096e-19 3.0747211565430595e-19 3.3647471708297394e-19 3.61396574624844e-19 3.82570941019788e-19 4.00722000106374e-19 4.1650023559800597e-19 4.3040712878112595e-19 4.42806373751652e-19 4.53949512241122e-19 4.6398714885313205e-19 4.7298657500631e-19 4.809445863473879e-19 4.8783074152032e-19 4.93608190462524e-19 4.9826091140766e-19 5.01795313062264e-19 5.042498476655519e-19 5.05675784869812e-19 5.0613560956377e-19 5.05650150043668e-19 5.041088561217599e-19 5.0136913407762e-19 4.97280379307652e-19 4.91680771971822e-19 4.84395674817024e-19 4.75236031000446e-19 4.64003170619472e-19 4.50495219418218e-19 4.3447825960812e-19 4.15534123087704e-19 3.9308923062199794e-19 3.66390559193022e-19 3.3444796364096398e-19 2.9590600253346e-19 2.4900228157310997e-19 1.9147773170597398e-19 1.205097983559342e-19 3.2361404524185595e-20 -7.835781285670139e-20 -2.19688857877446e-19 -4.03014714869628e-19 -6.440477698652219e-19 -9.664073108026559e-19 -1.411871695590114e-18 -2.05482357663768e-18 ] } }