{ "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" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" [ 13.6093 12.697431 12.132292 11.721687 11.399002 11.133146 10.907068 10.710399 10.536362 10.380281 10.238795 10.109406 9.990207 9.879711 9.776732 9.680313 9.589666 9.504141 9.42319 9.346347 9.273215 9.203454 9.136765 9.07289 9.008314 8.941769 8.87313 8.80226 8.729011 8.653217 8.574694 8.49324 8.408625 8.320596 8.228865 8.133106 8.032951 7.927975 7.817692 7.701535 7.578844 7.44884 7.310595 7.162993 7.004674 6.833962 6.648747 6.446337 6.223209 5.974631 5.694043 5.371965 4.99396 4.53644 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.36093e-09 1.2697431e-09 1.2132292e-09 1.1721686999999999e-09 1.1399002e-09 1.1133146e-09 1.0907068e-09 1.0710399e-09 1.0536362000000001e-09 1.0380281e-09 1.0238795e-09 1.0109406e-09 9.990207e-10 9.879711e-10 9.776732000000002e-10 9.680313e-10 9.589666e-10 9.504141e-10 9.42319e-10 9.346347e-10 9.273215000000001e-10 9.203454000000001e-10 9.136765000000001e-10 9.07289e-10 9.008314000000001e-10 8.941769000000002e-10 8.87313e-10 8.80226e-10 8.729011e-10 8.653217e-10 8.574694e-10 8.493240000000001e-10 8.408625000000001e-10 8.320596e-10 8.228865000000001e-10 8.133106e-10 8.032951000000001e-10 7.927975e-10 7.817692e-10 7.701535000000001e-10 7.578844e-10 7.448839999999999e-10 7.310595e-10 7.162993000000001e-10 7.004674e-10 6.833962e-10 6.648747e-10 6.446337e-10 6.223209e-10 5.974631e-10 5.694043e-10 5.371965000000001e-10 4.99396e-10 4.53644e-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" [ 1.28589 1.92747 2.49134 3.00814 3.4912 3.94371 4.37059 4.77186 5.14878 5.50211 5.83264 6.14101 6.42639 6.68864 6.92857 7.14576 7.339 7.50786 7.65193 7.77073 7.86377 7.93051 7.97162 7.9855 7.96983 7.91745 7.81866 7.6619 7.43094 7.10563 6.65999 6.06016 5.26157 4.20564 2.81264 0.974926 -1.4538 -4.68218 -9.00343 -14.8377 -22.8093 -33.8562 -49.4376 -71.8744 -104.998 -155.393 -234.931 -366.287 -595.876 -1027.37 -1919.41 -4019.24 -9971.13 -32406.2 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0602229118942598e-19 3.08814739673598e-19 3.99156673534956e-19 4.81957161980076e-19 5.5935190646208e-19 6.318520013272139e-19 7.00245717479406e-19 7.64536259271924e-19 8.24925500960652e-19 8.81535207969774e-19 9.34491952253376e-19 9.83898273116034e-19 1.0296211898971259e-18 1.071638272123776e-18 1.1100792961033379e-18 1.144876970417184e-18 1.1758374316926e-18 1.2028917863343239e-18 1.225974345100362e-18 1.245008203512282e-18 1.2599148549150178e-18 1.270607781770334e-18 1.2771943299127078e-18 1.2794181510807e-18 1.276907540295222e-18 1.2685153390863298e-18 1.252687436119044e-18 1.2275717152044599e-18 1.1905678436655958e-18 1.1384474355849418e-18 1.0670480360673658e-18 9.709446750301438e-19 8.429964512155379e-19 6.73817813901576e-19 4.506346087853759e-19 1.5620036570790838e-19 -2.3292443905092e-19 -7.501679392182119e-19 -1.4425085171854619e-18 -2.3772616242301797e-18 -3.6544527497896195e-18 -5.42436125560308e-18 -7.92077675610384e-18 -1.1515548426276958e-17 -1.68225342216732e-17 -2.4896703368716198e-17 -3.76400958802254e-17 -5.868564727379579e-17 -9.546986039613839e-17 -1.6460282084725797e-16 -3.07523385306594e-16 -6.439532414438159e-16 -1.5975511500576418e-15 -5.1920456436730796e-15 ] } }