{ "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" [ 7.58046 7.072541 6.757753 6.529043 6.349305 6.201221 6.075293 5.965747 5.868807 5.781868 5.703059 5.630988 5.564594 5.503046 5.445686 5.39198 5.341489 5.293851 5.24876 5.205958 5.165223 5.126365 5.089219 5.05364 5.017671 4.980605 4.942373 4.902898 4.862098 4.819881 4.776143 4.730773 4.683642 4.634609 4.583515 4.530177 4.47439 4.415918 4.35449 4.28979 4.221451 4.149038 4.072035 3.98982 3.901636 3.806548 3.703383 3.59064 3.466357 3.327898 3.17161 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.580460000000001e-10 7.072541000000001e-10 6.757753000000001e-10 6.529043e-10 6.349305000000001e-10 6.201221000000001e-10 6.075293000000001e-10 5.965747000000001e-10 5.868807000000001e-10 5.781868000000001e-10 5.703059e-10 5.630988000000001e-10 5.564594e-10 5.503046000000001e-10 5.445686000000001e-10 5.39198e-10 5.341489e-10 5.293851000000001e-10 5.24876e-10 5.205958e-10 5.165223e-10 5.126365e-10 5.089219e-10 5.05364e-10 5.017671e-10 4.980605e-10 4.942373e-10 4.902898000000001e-10 4.862098e-10 4.819881e-10 4.776143e-10 4.730773000000001e-10 4.683642e-10 4.6346090000000005e-10 4.5835150000000004e-10 4.5301770000000005e-10 4.47439e-10 4.415918e-10 4.35449e-10 4.28979e-10 4.221451e-10 4.149038e-10 4.072035e-10 3.98982e-10 3.901636e-10 3.806548e-10 3.703383e-10 3.5906400000000003e-10 3.466357e-10 3.327898e-10 3.17161e-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" [ 0.771243 1.00989 1.18592 1.37773 1.56556 1.73907 1.89632 2.03187 2.14893 2.25509 2.35829 2.45615 2.54736 2.63133 2.70786 2.77694 2.83871 2.89337 2.94114 2.9823 3.01713 3.04575 3.06277 3.06773 3.06305 3.04902 3.02547 2.99196 2.94787 2.89268 2.82623 2.74718 2.65387 2.54435 2.41631 2.26701 2.09031 1.8815 1.64011 1.36046 1.03476 0.65301 0.202079 -0.338702 -1.00069 -1.79847 -2.78168 -4.00939 -5.60625 -7.7841 -10.9009 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2356675137360619e-19 1.6180221609102597e-19 1.90005331379328e-19 2.2073668139608196e-19 2.50830365112504e-19 2.7862973188903794e-19 3.03823959458688e-19 3.2554146373255797e-19 3.44296543410162e-19 3.61305250556706e-19 3.77839713419586e-19 3.9351861395991e-19 4.0813206703862394e-19 4.21585544234322e-19 4.33847002014324e-19 4.44914838201996e-19 4.548114832702139e-19 4.635689807516579e-19 4.712225785322759e-19 4.778171375578199e-19 4.83397518774042e-19 4.8798294830055e-19 4.907098529316179e-19 4.915045325420819e-19 4.9075471387737e-19 4.885068600598679e-19 4.84733734086798e-19 4.7936484018626395e-19 4.72300843406958e-19 4.634584305639119e-19 4.528119668309819e-19 4.40146760539212e-19 4.25196850367358e-19 4.0764981187179e-19 3.87135542250054e-19 3.6321504510443397e-19 3.34904583981654e-19 3.014495336871e-19 2.62774591918974e-19 2.17969722349164e-19 1.6578682937978397e-19 1.04623736376834e-19 3.23766252022086e-20 -5.42660430289068e-20 -1.60328213587746e-19 -2.88146661094998e-19 -4.45674269926512e-19 -6.423750974593259e-19 -8.9822027543625e-19 -1.2471503136719398e-18 -1.74651672695706e-18 ] } }