{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 3.39831 3.170611 3.029492 2.926961 2.846385 2.779999 2.723546 2.674436 2.630978 2.592004 2.556674 2.524364 2.4946 2.467008 2.441294 2.417217 2.394582 2.373226 2.353012 2.333824 2.315563 2.298143 2.28149 2.26554 2.249415 2.232799 2.215659 2.197963 2.179672 2.160746 2.141139 2.120799 2.09967 2.077689 2.054783 2.030872 2.005863 1.97965 1.952112 1.923107 1.892471 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.39831e-10 3.1706110000000003e-10 3.029492e-10 2.926961e-10 2.8463850000000005e-10 2.7799990000000004e-10 2.723546e-10 2.674436e-10 2.6309779999999997e-10 2.592004e-10 2.556674e-10 2.524364e-10 2.4946000000000004e-10 2.467008e-10 2.4412940000000003e-10 2.417217e-10 2.394582e-10 2.373226e-10 2.353012e-10 2.333824e-10 2.315563e-10 2.298143e-10 2.28149e-10 2.2655400000000002e-10 2.2494150000000001e-10 2.232799e-10 2.215659e-10 2.1979630000000002e-10 2.179672e-10 2.160746e-10 2.141139e-10 2.120799e-10 2.0996700000000003e-10 2.077689e-10 2.054783e-10 2.030872e-10 2.005863e-10 1.97965e-10 1.952112e-10 1.923107e-10 1.892471e-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" [ -6.87409 -11.0039 -12.2918 -16.2972 -21.237 -26.2637 -31.6787 -36.884 -40.6412 -40.0006 -39.6184 -39.3736 -39.2733 -39.2845 -39.2732 -39.2304 -39.0901 -38.8099 -38.4061 -37.9126 -37.4494 -37.1193 -36.9466 -36.8905 -36.9382 -37.0802 -37.2779 -37.5494 -37.9663 -38.4969 -39.1325 -39.9074 -40.7789 -41.7255 -42.6133 -43.4387 -44.4433 -45.8133 -47.6166 -50.2627 -54.2213 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.1013506378013058e-18 -1.76301914628726e-18 -1.96936347498012e-18 -2.61109930396248e-18 -3.4025425176257995e-18 -4.2079086462385796e-18 -5.0754872935495795e-18 -5.9094682968455994e-18 -6.511438101772079e-18 -6.40880266659804e-18 -6.34756747564656e-18 -6.30834619164624e-18 -6.292276360007219e-18 -6.2940707978373e-18 -6.29226033824088e-18 -6.28540302224736e-18 -6.2629244840723394e-18 -6.21803149478766e-18 -6.15333560230674e-18 -6.0742681854188395e-18 -6.000055363731959e-18 -5.94716751304362e-18 -5.9194979225744394e-18 -5.9105097116577e-18 -5.91815209420188e-18 -5.940903002404679e-18 -5.97257803445886e-18 -6.016077130071959e-18 -6.082871873943419e-18 -6.167883366143459e-18 -6.2697177130005e-18 -6.39387038036916e-18 -6.53350007402226e-18 -6.685162114196699e-18 -6.82740335576322e-18 -6.95964701513358e-18 -7.12060167978522e-18 -7.340099878643219e-18 -7.629020391052439e-18 -8.05297235017518e-18 -8.68720999251042e-18 ] } }