{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 6.84464 6.386023 6.101791 5.895281 5.732989 5.599279 5.485575 5.386662 5.299131 5.220631 5.149472 5.084397 5.024447 4.968874 4.917082 4.868588 4.822998 4.779984 4.73927 4.700623 4.663842 4.628756 4.595216 4.56309 4.54122 4.518202 4.49391 4.468195 4.440878 4.411747 4.380545 4.346953 4.310576 4.270908 4.227296 4.178867 4.124423 4.062255 3.989806 3.902984 3.794643 3.65047 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.844640000000001e-10 6.386023e-10 6.101791000000001e-10 5.895281e-10 5.732989e-10 5.599279e-10 5.485575e-10 5.386662000000001e-10 5.299131e-10 5.220631e-10 5.149472e-10 5.084397000000001e-10 5.024447e-10 4.968873999999999e-10 4.917082e-10 4.868588e-10 4.822998e-10 4.779984e-10 4.73927e-10 4.700623e-10 4.663842e-10 4.628756e-10 4.5952159999999997e-10 4.56309e-10 4.54122e-10 4.5182019999999996e-10 4.49391e-10 4.468195e-10 4.440878e-10 4.4117470000000004e-10 4.380545e-10 4.346953e-10 4.310576e-10 4.2709080000000007e-10 4.227296e-10 4.178867e-10 4.1244230000000003e-10 4.0622550000000007e-10 3.9898060000000004e-10 3.902984e-10 3.7946430000000003e-10 3.65047e-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" [ 0.99609 1.24092 1.63737 2.08049 2.48638 2.90321 3.36398 3.79774 4.17201 4.48912 4.75544 4.97837 5.17368 5.3706 5.55642 5.72011 5.8558 5.96057 6.04038 6.10727 6.16151 6.18093 6.18036 6.18897 6.18484 6.1713 6.14634 6.10757 6.05197 5.97548 5.87288 5.74026 5.57086 5.35092 5.06136 4.67805 4.18857 3.56329 2.74015 1.59821 -0.0669903 -2.97139 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.595912110212672e-19 1.988173012283136e-19 2.623355933599296e-19 3.3333124378081923e-19 3.983619906424704e-19 4.651455187272769e-19 5.389690108838785e-19 6.084650239876993e-19 6.684296883743809e-19 7.192363111965696e-19 7.619054789617153e-19 7.976228023692097e-19 8.289149139500544e-19 8.604649759668479e-19 8.902366219345537e-19 9.16462651040429e-19 9.382025856080641e-19 9.549885900641856e-19 9.677755616747905e-19 9.784925210913217e-19 9.871827270825409e-19 9.902941540801345e-19 9.902028300127489e-19 9.915823040832577e-19 9.909206051388673e-19 9.887512579943039e-19 9.847522251487874e-19 9.785405863899457e-19 9.696324843782976e-19 9.573774354057984e-19 9.409391032763905e-19 9.196910369313408e-19 8.925501649749889e-19 8.573118923771137e-19 8.109192661452287e-19 7.49506234093344e-19 6.710828928584257e-19 5.709019931130432e-19 4.39020426748512e-19 2.560614697128768e-19 -1.0733029248037824e-20 -4.760691589278912e-19 ] } }