{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ni" ] } "a" { "source-value" [ 3.49893 3.264489 3.119191 3.013625 2.930663 2.862311 2.804187 2.753623 2.708878 2.66875 2.632374 2.599108 2.568462 2.540054 2.513578 2.488788 2.465483 2.443495 2.422682 2.402926 2.384124 2.366188 2.349042 2.33262 2.316018 2.298909 2.281262 2.263042 2.24421 2.224723 2.204535 2.183593 2.161839 2.139207 2.115623 2.091004 2.065254 2.038265 2.009912 1.980048 1.948505 1.915081 1.879538 1.84159 1.800887 1.756997 1.709379 1.65734 1.599974 1.536065 1.463927 1.381121 1.283937 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.4989300000000004e-10 3.264489e-10 3.119191e-10 3.0136250000000005e-10 2.930663e-10 2.862311e-10 2.8041870000000005e-10 2.7536230000000003e-10 2.708878e-10 2.66875e-10 2.632374e-10 2.5991080000000003e-10 2.568462e-10 2.540054e-10 2.513578e-10 2.488788e-10 2.465483e-10 2.443495e-10 2.4226820000000003e-10 2.402926e-10 2.384124e-10 2.3661880000000004e-10 2.349042e-10 2.33262e-10 2.316018e-10 2.2989090000000002e-10 2.281262e-10 2.263042e-10 2.24421e-10 2.2247230000000002e-10 2.204535e-10 2.1835930000000002e-10 2.1618390000000003e-10 2.1392069999999999e-10 2.115623e-10 2.091004e-10 2.065254e-10 2.038265e-10 2.009912e-10 1.9800480000000002e-10 1.948505e-10 1.915081e-10 1.879538e-10 1.84159e-10 1.800887e-10 1.756997e-10 1.709379e-10 1.6573400000000001e-10 1.5999740000000001e-10 1.536065e-10 1.463927e-10 1.381121e-10 1.2839370000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.978253 1.53536 1.92466 2.2243 2.46641 2.66593 2.84 2.99425 3.12917 3.24685 3.34925 3.43808 3.52011 3.59656 3.66492 3.72229 3.77001 3.80917 3.84068 3.86526 3.88354 3.89604 3.9032 3.90545 3.90283 3.89385 3.87749 3.85253 3.81846 3.77483 3.71989 3.65144 3.56686 3.46268 3.33611 3.18825 3.01329 2.80348 2.54922 2.24609 1.87993 1.43073 0.883819 0.207918 -0.637355 -1.70648 -3.055 -4.73977 -6.85557 -9.58099 -13.031 -17.2867 -21.8868 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.567334098740402e-19 2.45991791677824e-19 3.08364528039444e-19 3.5637214870061997e-19 3.95162447186394e-19 4.2712907538796197e-19 4.55018164056e-19 4.7973173863545e-19 5.01348305781378e-19 5.202027204102899e-19 5.3660900914245e-19 5.508411441822719e-19 5.63983799110974e-19 5.76232439477904e-19 5.871849189479279e-19 5.96376606297186e-19 6.040221931946339e-19 6.10296316893378e-19 6.153447754671119e-19 6.1928292563348395e-19 6.22211704520436e-19 6.24214425312936e-19 6.2536158378288e-19 6.257220735255299e-19 6.253023032474219e-19 6.2386354863009e-19 6.212423876568659e-19 6.172433547784019e-19 6.117847389863639e-19 6.0479444233222195e-19 5.959920839050259e-19 5.8502518484529595e-19 5.71473974874924e-19 5.5478249870191195e-19 5.345037490453739e-19 5.1081396533505e-19 4.827822829465859e-19 4.4916701498863195e-19 4.08430071892548e-19 3.59863291586106e-19 3.01197991955562e-19 2.29228217556282e-19 1.416034150485246e-19 3.33121361388012e-20 -1.02115528856307e-19 -2.7340823823883198e-19 -4.89464961687e-19 -7.59394874453418e-19 -1.098383406675138e-18 -1.5350438308587658e-18 -2.0877963717654e-18 -2.7696346818967797e-18 -3.50665195530312e-18 ] } }