{ "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" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" [ 13.7476 12.826459 12.255572 11.840793 11.514826 11.246267 11.01789 10.819221 10.643414 10.485745 10.34282 10.212116 10.091705 9.980085 9.876059 9.778659 9.687091 9.600697 9.518922 9.441297 9.367423 9.296952 9.229585 9.16506 9.099829 9.032607 8.963271 8.891681 8.817688 8.741124 8.661804 8.579522 8.494048 8.405124 8.312461 8.21573 8.114558 8.008516 7.897112 7.779776 7.655838 7.524513 7.384864 7.235762 7.075836 6.903389 6.716294 6.511828 6.286433 6.03533 5.751892 5.426542 5.044698 4.58253 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3747600000000001e-09 1.2826459e-09 1.2255572000000002e-09 1.1840793e-09 1.1514826e-09 1.1246267e-09 1.101789e-09 1.0819221000000002e-09 1.0643414e-09 1.0485745e-09 1.034282e-09 1.0212116000000001e-09 1.0091704999999999e-09 9.980085e-10 9.876059e-10 9.778659e-10 9.687091000000002e-10 9.600697e-10 9.518922e-10 9.441297e-10 9.367423000000001e-10 9.296951999999999e-10 9.229585e-10 9.16506e-10 9.099829e-10 9.032607000000001e-10 8.963271000000001e-10 8.891681000000001e-10 8.817688000000001e-10 8.741123999999999e-10 8.661804e-10 8.579522000000001e-10 8.494048e-10 8.405124000000001e-10 8.312461000000001e-10 8.215730000000001e-10 8.114558000000001e-10 8.008516000000001e-10 7.897112e-10 7.779776e-10 7.655838e-10 7.524513e-10 7.384864000000001e-10 7.235762e-10 7.075836e-10 6.903389e-10 6.716294000000001e-10 6.511828000000001e-10 6.286433e-10 6.03533e-10 5.751892e-10 5.426542000000001e-10 5.044698000000001e-10 4.58253e-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" [ 0.274815 0.36276 0.425523 0.475613 0.51627 0.550057 0.5801 0.605823 0.627945 0.646992 0.663371 0.677396 0.689324 0.699889 0.70992 0.718422 0.725517 0.731309 0.735889 0.73934 0.742551 0.74478 0.746081 0.746505 0.74605 0.744577 0.741906 0.737819 0.73206 0.724315 0.714305 0.702144 0.686705 0.667318 0.643149 0.614627 0.579627 0.536175 0.482194 0.414977 0.333053 0.230538 0.101669 -0.0626264 -0.275161 -0.552724 -0.919547 -1.41664 -2.09889 -3.07866 -4.55158 -6.87988 -10.8606 -18.4802 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.403021716727099e-20 5.8120559574984e-20 6.817630078295819e-20 7.62016035426642e-20 8.2715573083518e-20 8.81288472768138e-20 9.294226653833998e-20 9.70635454939782e-20 1.00607880643713e-19 1.0365954647849279e-19 1.062837515873214e-19 1.085308043165064e-19 1.104418806055416e-19 1.121345802193626e-19 1.13741723600928e-19 1.151038941751548e-19 1.1624063849697778e-19 1.171686192033906e-19 1.179024161017626e-19 1.1845532725815598e-19 1.189697861753334e-19 1.1932691134705198e-19 1.195353545271354e-19 1.1960328681641698e-19 1.1953038777957e-19 1.192943871613818e-19 1.1886644578244039e-19 1.182116361921246e-19 1.17288942668604e-19 1.16048056865571e-19 1.1444427805493699e-19 1.1249587105032959e-19 1.10022270545097e-19 1.0691613070476119e-19 1.0304382999804659e-19 9.84741018025518e-20 9.28664835835518e-20 8.590470567349499e-20 7.72559959854996e-20 6.64866453047418e-20 5.33609734483602e-20 3.6936259684909197e-20 1.6289169620214597e-20 -1.0033855475153759e-20 -4.4085652478807396e-20 -8.855614778510159e-20 -1.473276717264798e-19 -2.2697075067897597e-19 -3.3627925153362597e-19 -4.93255711603044e-19 -7.29243512378172e-19 -1.102278298072392e-18 -1.7400599551220397e-18 -2.9608544631646797e-18 ] } }