{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.13907 8.526718 8.147206 7.871471 7.654777 7.476245 7.324426 7.192356 7.075483 6.970669 6.875656 6.788767 6.708721 6.634519 6.565365 6.500616 6.439744 6.382311 6.327949 6.276346 6.227236 6.180388 6.135604 6.09271 6.063509 6.032775 6.00034 5.966005 5.929531 5.890636 5.848974 5.804122 5.75555 5.702586 5.644354 5.579691 5.506997 5.42399 5.327255 5.21133 5.066671 4.87417 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.139070000000001e-10 8.526718000000001e-10 8.147206e-10 7.871471e-10 7.654777e-10 7.476244999999999e-10 7.324426e-10 7.192356e-10 7.075483000000001e-10 6.970669e-10 6.875656000000001e-10 6.788767e-10 6.708721e-10 6.634519e-10 6.565365e-10 6.500616e-10 6.439744000000001e-10 6.382311e-10 6.327949000000001e-10 6.276346000000001e-10 6.227236000000001e-10 6.180388e-10 6.135604e-10 6.09271e-10 6.063509e-10 6.032775e-10 6.00034e-10 5.966005e-10 5.929531e-10 5.890636e-10 5.848974e-10 5.804121999999999e-10 5.755550000000001e-10 5.702586e-10 5.644354e-10 5.579691e-10 5.506997000000001e-10 5.42399e-10 5.327255e-10 5.211330000000001e-10 5.066671000000001e-10 4.87417e-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" [ 0.492386 1.07859 1.51183 1.71181 1.83216 1.97189 2.09254 2.18694 2.26542 2.33298 2.39173 2.44275 2.48696 2.52549 2.55939 2.58908 2.61477 2.6366 2.65467 2.66912 2.68005 2.68762 2.69199 2.69338 2.69273 2.69066 2.68691 2.68113 2.67284 2.66141 2.64604 2.62565 2.59879 2.56343 2.51667 2.4543 2.36991 2.25355 2.08825 1.84217 1.44789 0.745765 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.888893376092288e-20 1.728091681428672e-19 2.422218680624064e-19 2.742621961251648e-19 2.9354439175649284e-19 3.159316056789312e-19 3.352618666088832e-19 3.503864139092352e-19 3.6296029602927367e-19 3.737846012793984e-19 3.831973889265984e-19 3.9137169404592007e-19 3.984549168864768e-19 4.0462810340641924e-19 4.1005948215093124e-19 4.1481634453808645e-19 4.1893233627692164e-19 4.22429887840128e-19 4.253250209939136e-19 4.276401662109696e-19 4.2939134525750403e-19 4.306041929594496e-19 4.3130434414273926e-19 4.3152704669303042e-19 4.3142290521267844e-19 4.310912546521728e-19 4.3049043841937284e-19 4.2956438033255043e-19 4.282361759139072e-19 4.264048880363328e-19 4.2394234257016323e-19 4.20675504440352e-19 4.1637205803688324e-19 4.107067615057344e-19 4.032149836268736e-19 3.93222208042944e-19 3.797014395400128e-19 3.6105851238038405e-19 3.3457453283856003e-19 2.9514817055391363e-19 2.319775507490112e-19 1.194847247610912e-19 ] } }