{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.1983 3.916999 3.74266 3.615993 3.516449 3.434435 3.364693 3.304023 3.250334 3.202185 3.158538 3.118623 3.081852 3.047765 3.015997 2.986253 2.95829 2.931906 2.906933 2.883228 2.860668 2.839147 2.818575 2.79887 2.778949 2.758421 2.737246 2.715384 2.692788 2.669406 2.645183 2.620055 2.593952 2.566796 2.538498 2.508958 2.478061 2.445678 2.411657 2.375824 2.337975 2.29787 2.255223 2.20969 2.16085 2.108188 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1983e-10 3.916999e-10 3.74266e-10 3.615993e-10 3.5164490000000005e-10 3.4344350000000004e-10 3.364693e-10 3.3040230000000003e-10 3.250334e-10 3.202185e-10 3.158538e-10 3.118623e-10 3.081852e-10 3.0477650000000003e-10 3.0159970000000003e-10 2.9862530000000003e-10 2.95829e-10 2.9319060000000003e-10 2.906933e-10 2.883228e-10 2.860668e-10 2.839147e-10 2.8185750000000003e-10 2.7988700000000003e-10 2.778949e-10 2.758421e-10 2.737246e-10 2.715384e-10 2.692788e-10 2.669406e-10 2.645183e-10 2.6200549999999997e-10 2.5939519999999997e-10 2.566796e-10 2.5384980000000005e-10 2.508958e-10 2.478061e-10 2.445678e-10 2.411657e-10 2.375824e-10 2.3379750000000004e-10 2.2978700000000002e-10 2.255223e-10 2.2096900000000003e-10 2.16085e-10 2.1081880000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.16651 1.73 2.15114 2.48699 2.76662 3.00411 3.21012 3.39121 3.54953 3.68838 3.81033 3.91746 4.0081 4.08621 4.15346 4.21078 4.259 4.29881 4.33084 4.35669 4.37697 4.39101 4.39918 4.40183 4.39899 4.39026 4.37448 4.35017 4.3158 4.26855 4.20724 4.12931 4.03169 3.9106 3.76146 3.57861 3.35503 3.08197 2.74835 2.33634 1.83032 1.2059 0.430881 -0.538176 -1.75342 -3.29209 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8689550653273398e-19 2.77176557682e-19 3.4465062444627594e-19 3.98459726699166e-19 4.43261391915708e-19 4.81311484796574e-19 5.143179256336079e-19 5.43331742298714e-19 5.686974027682019e-19 5.90943625331292e-19 6.104821693829219e-19 6.27646287662964e-19 6.421684166735399e-19 6.54683018361714e-19 6.654576562253639e-19 6.74641332691452e-19 6.823670284206e-19 6.887452936005539e-19 6.93877065359256e-19 6.98018691958146e-19 7.01267906171898e-19 7.035173621660339e-19 7.04826340476012e-19 7.05250917284022e-19 7.0479589911996605e-19 7.033971989184839e-19 7.0086896419003195e-19 6.96974072792778e-19 6.9146739170172e-19 6.8389710710607e-19 6.740741621630159e-19 6.61588399654254e-19 6.45947951353146e-19 6.2654719449204e-19 6.02652332172564e-19 5.733565324198739e-19 5.37535067236902e-19 4.93786032068898e-19 4.4033421520539e-19 3.7432293570795596e-19 2.9324959367428795e-19 1.9320648029405999e-19 6.90347470234554e-20 -8.62253012179584e-20 -2.80928855358828e-19 -5.274509675025059e-19 ] } }