{ "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" [ "Ra" "Ra" "Ra" "Ra" "Ra" "Ra" "Ra" "Ra" ] } "a" { "source-value" [ 14.7434 13.755541 13.143306 12.698484 12.348908 12.060897 11.815979 11.602921 11.41438 11.245292 11.092015 10.951843 10.822712 10.703007 10.591447 10.486992 10.388792 10.29614 10.208442 10.125195 10.045969 9.970394 9.898148 9.82895 9.758993 9.686903 9.612544 9.535769 9.456416 9.374306 9.28924 9.200998 9.109332 9.013968 8.914592 8.810855 8.702353 8.58863 8.469157 8.343321 8.210406 8.069569 7.919804 7.759902 7.588391 7.403453 7.202805 6.983528 6.741806 6.472515 6.168546 5.819629 5.410125 4.91448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.4743399999999999e-09 1.3755541e-09 1.3143306000000001e-09 1.2698484e-09 1.2348908000000001e-09 1.2060897e-09 1.1815979e-09 1.1602921e-09 1.141438e-09 1.1245292e-09 1.1092015000000001e-09 1.0951843e-09 1.0822712e-09 1.0703007e-09 1.0591447000000002e-09 1.0486992e-09 1.0388792e-09 1.029614e-09 1.0208442e-09 1.0125195e-09 1.0045969e-09 9.970394000000001e-10 9.898148000000002e-10 9.82895e-10 9.758993e-10 9.686903e-10 9.612544e-10 9.535769e-10 9.456416000000002e-10 9.374306000000001e-10 9.28924e-10 9.200998000000001e-10 9.109332000000001e-10 9.013968e-10 8.914592000000001e-10 8.810855e-10 8.702353e-10 8.588630000000001e-10 8.469157e-10 8.343321e-10 8.210406000000001e-10 8.069569e-10 7.919804e-10 7.759902000000001e-10 7.588391e-10 7.403453e-10 7.202805e-10 6.983528e-10 6.741806e-10 6.472515e-10 6.168546e-10 5.819629e-10 5.410125e-10 4.914480000000001e-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" [ 0.855563 1.28244 1.6576 2.00146 2.32286 2.62394 2.90796 3.17494 3.42573 3.66082 3.88073 4.08591 4.27578 4.45028 4.60991 4.75442 4.88299 4.99535 5.0912 5.17025 5.23215 5.27656 5.30391 5.31314 5.30272 5.26787 5.20214 5.09784 4.94417 4.72773 4.43123 4.03213 3.50079 2.79824 1.8714 0.648708 -0.967248 -3.11522 -5.99033 -9.87211 -15.1759 -22.5259 -32.8929 -47.8211 -69.8593 -103.39 -156.309 -243.705 -396.461 -683.547 -1277.06 -2674.14 -6634.14 -21560.9 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3707630475149418e-19 2.05469540250696e-19 2.6557679885183997e-19 3.2066924458856393e-19 3.7216320160532395e-19 4.20401535701796e-19 4.65906556460664e-19 5.086814682351959e-19 5.48862456039282e-19 5.86528026527988e-19 6.217614928862819e-19 6.54634953062694e-19 6.85055480812452e-19 7.13013463075752e-19 7.3858900868429395e-19 7.617420632222279e-19 7.82341248205566e-19 8.003433048651899e-19 8.157001679020799e-19 8.283653741938499e-19 8.382828475583099e-19 8.45398113989904e-19 8.497800670838939e-19 8.512588761170759e-19 8.495894080644479e-19 8.440058224949579e-19 8.334747154796759e-19 8.167640131870559e-19 7.921433648523779e-19 7.57465853786082e-19 7.09961316587982e-19 6.460184471250421e-19 5.608883938540859e-19 4.483274744324159e-19 2.9983133528676e-19 1.0393447998888718e-19 -1.5497021448832318e-19 -4.991132693769479e-19 -9.59756675594922e-19 -1.5816863970277738e-18 -2.43144723799206e-18 -3.60904706398206e-18 -5.270023580449859e-18 -7.66178490321774e-18 -1.119269381275962e-17 -1.6564904218926e-17 -2.5043462748390598e-17 -3.9045845658897e-17 -6.35200550492274e-17 -1.095163031640798e-16 -2.0460756922160398e-16 -4.2844446240447595e-16 -1.062906409468476e-15 -3.45443701880106e-15 ] } }