{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 3.66566 3.420047 3.267825 3.157228 3.070312 2.998704 2.937809 2.884836 2.837959 2.795918 2.757808 2.722957 2.690851 2.661089 2.633351 2.60738 2.582965 2.559928 2.538124 2.517426 2.497728 2.478938 2.460975 2.44377 2.426377 2.408453 2.389965 2.370877 2.351147 2.330732 2.309582 2.287643 2.264852 2.241142 2.216434 2.190642 2.163665 2.135391 2.105686 2.0744 2.041353 2.006337 1.969101 1.929345 1.886702 1.840721 1.790834 1.736315 1.676216 1.609263 1.533687 1.446936 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.66566e-10 3.420047e-10 3.2678250000000006e-10 3.157228e-10 3.070312e-10 2.998704e-10 2.937809e-10 2.8848360000000003e-10 2.8379590000000003e-10 2.795918e-10 2.757808e-10 2.722957e-10 2.690851e-10 2.6610890000000004e-10 2.6333510000000003e-10 2.60738e-10 2.5829650000000005e-10 2.5599280000000003e-10 2.538124e-10 2.517426e-10 2.497728e-10 2.478938e-10 2.460975e-10 2.44377e-10 2.426377e-10 2.408453e-10 2.389965e-10 2.370877e-10 2.3511470000000003e-10 2.330732e-10 2.309582e-10 2.2876430000000002e-10 2.264852e-10 2.241142e-10 2.2164340000000002e-10 2.190642e-10 2.163665e-10 2.135391e-10 2.105686e-10 2.0743999999999998e-10 2.041353e-10 2.006337e-10 1.969101e-10 1.929345e-10 1.8867020000000002e-10 1.8407210000000001e-10 1.7908340000000001e-10 1.736315e-10 1.676216e-10 1.6092630000000002e-10 1.533687e-10 1.446936e-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" [ 0.456627 0.344548 0.103886 0.0276261 0.025148 0.0272287 0.030785 0.0147973 0.0033522 0.00174144 0.00163059 0.0016862 0.00180289 0.00198829 0.00219992 0.00244493 0.00283115 0.00363661 0.00437629 0.00461693 0.00469859 0.0047406 0.00476151 0.0047675 0.0047566 0.00472272 0.00466506 0.00458313 0.00441723 0.00331855 0.00287679 0.00141885 -0.00618404 -0.00721214 -0.00427436 -0.00401629 -0.00404831 -0.00405388 -0.00405439 -0.00405441 -0.00405441 -0.00405441 -0.00405441 -0.00405441 -0.00405441 -0.00405441 -0.00405441 -0.00405441 -0.00405628 -0.0172807 -0.0172816 -0.0134774 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.31597109853518e-20 5.52026754891432e-20 1.66443721799724e-20 4.4261891908547396e-21 4.0291537991832e-21 4.36251869141958e-21 4.9323007677689995e-21 2.3707888306288198e-21 5.370816512494799e-22 2.7900944775129595e-22 2.61249319763406e-22 2.7015902402508e-22 2.8885482316722597e-22 3.18559177961586e-22 3.52466042066928e-22 3.9172097177656197e-22 4.5360023773491e-22 5.82649156897074e-22 7.011589581607859e-22 7.3971373668136195e-22 7.527971110746059e-22 7.5952785511404e-22 7.62878006455734e-22 7.638377102594999e-22 7.620913377284399e-22 7.566631632924479e-22 7.47425012820804e-22 7.34298379658442e-22 7.07718269300382e-22 5.3169032687606995e-22 4.60912571892486e-22 2.2732483171508996e-22 -9.90792439172136e-22 -1.1555122189136758e-21 -6.848279717304239e-22 -6.434805993367859e-22 -6.48610768918854e-22 -6.49503181303992e-22 -6.495848923123259e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.495880966655939e-22 -6.498877036961519e-22 -2.7686733759163798e-21 -2.76881757181344e-21 -2.1593175367071598e-21 ] } }