{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" [ 4.71984 4.403593 4.207596 4.065194 3.953283 3.861081 3.782674 3.714467 3.654109 3.599978 3.550909 3.506036 3.464696 3.426375 3.390661 3.357221 3.325784 3.296123 3.268048 3.241398 3.216035 3.191841 3.168713 3.14656 3.131479 3.115607 3.098856 3.081124 3.062287 3.042199 3.020683 2.99752 2.972435 2.945082 2.915008 2.881613 2.844071 2.801202 2.751244 2.691375 2.616667 2.51725 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.71984e-10 4.403593e-10 4.207596e-10 4.065194e-10 3.953283e-10 3.861081e-10 3.7826740000000003e-10 3.7144670000000003e-10 3.654109e-10 3.599978e-10 3.550909e-10 3.506036e-10 3.464696e-10 3.4263750000000005e-10 3.3906610000000005e-10 3.357221e-10 3.325784e-10 3.296123e-10 3.268048e-10 3.2413979999999997e-10 3.2160350000000004e-10 3.1918410000000004e-10 3.168713e-10 3.14656e-10 3.131479e-10 3.1156069999999997e-10 3.098856e-10 3.081124e-10 3.062287e-10 3.0421990000000003e-10 3.020683e-10 2.9975200000000004e-10 2.9724350000000003e-10 2.9450820000000005e-10 2.9150079999999997e-10 2.881613e-10 2.844071e-10 2.801202e-10 2.751244e-10 2.691375e-10 2.616667e-10 2.5172500000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.44004 2.20282 2.82311 3.3496 3.80607 4.20676 4.56116 4.87603 5.15645 5.40634 5.62885 5.82655 6.00158 6.15574 6.29056 6.40739 6.5074 6.5916 6.66092 6.71616 6.75805 6.78727 6.8044 6.81 6.80728 6.79833 6.7817 6.75556 6.71755 6.6646 6.59265 6.49626 6.36792 6.19717 5.96887 5.66054 5.23741 4.64295 3.77947 2.46324 0.306342 -3.6694 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.307198421016832e-19 3.529306703830656e-19 4.523120839946688e-19 5.36665080903168e-19 6.0979963711282565e-19 6.739972521316609e-19 7.307783915728129e-19 7.812261268319424e-19 8.261543636324161e-19 8.661911552095873e-19 9.01841187199008e-19 9.33516218992224e-19 9.615591163860864e-19 9.862582711723392e-19 1.007858816373965e-18 1.0265770458347713e-18 1.042600414219392e-18 1.0560907413665281e-18 1.0671970297019136e-18 1.076047453355213e-18 1.082758971219744e-18 1.0874405313057218e-18 1.0901850598571521e-18 1.0910822787648e-18 1.0906464867239425e-18 1.0892125386483265e-18 1.0865481189279361e-18 1.0823600292411648e-18 1.076270155905504e-18 1.0677866306983681e-18 1.056258969911712e-18 1.0408155894638209e-18 1.0202532547124736e-18 9.928960889123136e-19 9.563183966594497e-19 9.069184849103233e-19 8.391255855544128e-19 7.43882594154336e-19 6.055378473014976e-19 3.946545539419392e-19 4.9081399036911364e-20 -5.87902689236352e-19 ] } }