{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.14531 8.53254 8.152769 7.876846 7.660003 7.48135 7.329427 7.197266 7.080314 6.975429 6.880351 6.793402 6.713302 6.639049 6.569848 6.505054 6.444141 6.386668 6.332269 6.280631 6.231487 6.184608 6.139794 6.09687 6.067649 6.036894 6.004437 5.970078 5.93358 5.894658 5.852968 5.808085 5.75948 5.70648 5.648209 5.583501 5.510758 5.427695 5.330893 5.21489 5.070132 4.8775 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.145310000000001e-10 8.53254e-10 8.152768999999999e-10 7.876846e-10 7.660003e-10 7.48135e-10 7.329427e-10 7.197266e-10 7.080314000000001e-10 6.975429e-10 6.880351e-10 6.793402e-10 6.713302e-10 6.639049000000001e-10 6.569848e-10 6.505054e-10 6.444141e-10 6.386668e-10 6.332269e-10 6.280631e-10 6.231487000000001e-10 6.184608e-10 6.139794e-10 6.096870000000001e-10 6.067649000000001e-10 6.036894e-10 6.004437000000001e-10 5.970078e-10 5.93358e-10 5.894658e-10 5.852967999999999e-10 5.808085e-10 5.75948e-10 5.70648e-10 5.648209e-10 5.583501000000001e-10 5.510758e-10 5.427695e-10 5.330893e-10 5.21489e-10 5.070132e-10 4.877500000000001e-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" [ 1.37074 1.9874 2.37529 2.65419 2.86855 3.03984 3.18019 3.29712 3.39565 3.4793 3.55064 3.61162 3.66374 3.70819 3.74594 3.77776 3.80432 3.82615 3.84373 3.85744 3.86764 3.87461 3.87863 3.87993 3.87931 3.8773 3.87361 3.86788 3.85967 3.84839 3.83331 3.81342 3.78741 3.75346 3.709 3.65033 3.57184 3.46471 3.31416 3.09345 2.74847 2.14871 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.19616759928916e-19 3.1841658424116e-19 3.80563413697386e-19 4.2524812001964595e-19 4.5959237834607e-19 4.87036061909856e-19 5.095226109680459e-19 5.28256862349408e-19 5.4404310872420995e-19 5.574453162676199e-19 5.688752443745759e-19 5.786453174887079e-19 5.86995862105116e-19 5.94117537243246e-19 6.00165754036596e-19 6.052638800859839e-19 6.09519261225888e-19 6.1301681281791e-19 6.158334393404819e-19 6.18030023505696e-19 6.19664243672376e-19 6.20780960786274e-19 6.214250357931419e-19 6.21633318755562e-19 6.215339838042539e-19 6.2121194630082e-19 6.20620743122874e-19 6.19702695911592e-19 6.18387308895078e-19 6.16580053651926e-19 6.141639712878539e-19 6.109772419628279e-19 6.06809980537794e-19 6.01370590865364e-19 5.942473135506e-19 5.8484734323892195e-19 5.722718588386559e-19 5.55107740558614e-19 5.30986971333744e-19 4.9562533084473e-19 4.40353441324998e-19 3.4426129552421395e-19 ] } }