{ "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" [ 7.59354 7.084745 6.769414 6.540309 6.36026 6.211921 6.085776 5.976041 5.878933 5.791845 5.7129 5.640704 5.574195 5.512542 5.455083 5.401283 5.350706 5.302985 5.257817 5.214941 5.174136 5.135211 5.098 5.06236 5.026329 4.989199 4.950901 4.911358 4.870488 4.828197 4.784384 4.738935 4.691723 4.642606 4.591423 4.537994 4.482111 4.423538 4.362004 4.297192 4.228735 4.156197 4.079061 3.996704 3.908368 3.813116 3.709773 3.596836 3.472338 3.33364 3.177082 2.997374 2.78646 2.53118 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.59354e-10 7.084745e-10 6.769414000000001e-10 6.540309e-10 6.360260000000001e-10 6.211921e-10 6.085776e-10 5.976041e-10 5.878933e-10 5.791845e-10 5.712900000000001e-10 5.640704e-10 5.574195e-10 5.512542e-10 5.455083e-10 5.401283000000001e-10 5.350706e-10 5.302985e-10 5.257817e-10 5.214941e-10 5.174136e-10 5.135211e-10 5.098e-10 5.06236e-10 5.026328999999999e-10 4.989199e-10 4.950901e-10 4.911358e-10 4.870488e-10 4.828197e-10 4.784384000000001e-10 4.738935e-10 4.691723e-10 4.642606e-10 4.591423e-10 4.5379940000000004e-10 4.482111e-10 4.423538e-10 4.362004e-10 4.297192e-10 4.2287350000000004e-10 4.1561969999999996e-10 4.0790610000000004e-10 3.996704e-10 3.908368e-10 3.813116e-10 3.709773e-10 3.596836e-10 3.472338e-10 3.33364e-10 3.1770820000000003e-10 2.9973740000000004e-10 2.78646e-10 2.53118e-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" [ 1.69922 2.03301 2.27958 2.47594 2.63819 2.77517 2.89242 2.99366 3.08158 3.15818 3.22498 3.28114 3.30249 3.32014 3.34454 3.37196 3.39813 3.42076 3.43927 3.45388 3.46486 3.47244 3.47685 3.47828 3.47676 3.47184 3.46295 3.44944 3.43051 3.40521 3.3612 3.29706 3.22609 3.15047 3.06617 2.96679 2.84592 2.69774 2.51497 2.28751 2.00099 1.63452 1.157 0.520916 -0.349129 -1.57285 -3.35257 -6.04038 -10.2743 -17.2675 -29.4489 -51.9424 -95.9309 -183.861 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7224505800254797e-19 3.25724111868834e-19 3.65228981133372e-19 3.9668932151859596e-19 4.2268463740524595e-19 4.44631252937778e-19 4.634167739714279e-19 4.79637210214044e-19 4.93723547180172e-19 5.05996220196612e-19 5.16698760111732e-19 5.25696584088276e-19 5.29117231201866e-19 5.31945072960876e-19 5.35854383947836e-19 5.40247552278264e-19 5.44440448529442e-19 5.480661742521839e-19 5.51031803201718e-19 5.533725832639919e-19 5.55131773208124e-19 5.56346223096696e-19 5.5705278299229e-19 5.572818942509519e-19 5.57038363402584e-19 5.562500924986559e-19 5.5482575747103e-19 5.52661216838496e-19 5.49628296470334e-19 5.455747895863139e-19 5.3852361022008e-19 5.282472492896039e-19 5.16876601718106e-19 5.04760942011798e-19 4.91254592987178e-19 4.75332161598486e-19 4.55966652623328e-19 4.32225599260716e-19 4.02942616921098e-19 3.66499507204134e-19 3.2059394228676596e-19 2.61878975180568e-19 1.853718365538e-19 8.34599443476744e-20 -5.59366326051786e-20 -2.5199835187869e-19 -5.37140931784938e-19 -9.67775569648092e-19 -1.6461243390706199e-18 -2.7665585027594996e-18 -4.7182339477002596e-18 -8.322089959388159e-18 -1.5369824645859057e-17 -2.94577798103874e-17 ] } }