{ "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" [ 8.02473 7.487043 7.153807 6.911693 6.72142 6.564657 6.43135 6.315383 6.212761 6.120728 6.0373 5.961005 5.890719 5.825565 5.764843 5.707989 5.654539 5.604109 5.556375 5.511065 5.467943 5.426807 5.387484 5.34982 5.311743 5.272505 5.232032 5.190244 5.147052 5.102361 5.05606 5.00803 4.958137 4.906231 4.852142 4.795678 4.736622 4.674723 4.609695 4.541203 4.468859 4.392202 4.310686 4.223652 4.1303 4.02964 3.920428 3.801078 3.66951 3.522937 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.02473e-10 7.487043e-10 7.153807e-10 6.911693e-10 6.72142e-10 6.564657000000001e-10 6.431350000000001e-10 6.315382999999999e-10 6.212761e-10 6.120728e-10 6.0373e-10 5.961005e-10 5.890719e-10 5.825565e-10 5.764843e-10 5.707989000000001e-10 5.654538999999999e-10 5.604109e-10 5.556375e-10 5.511065000000001e-10 5.467943000000001e-10 5.426807e-10 5.387484e-10 5.349820000000001e-10 5.311743e-10 5.272505e-10 5.232032e-10 5.190244e-10 5.147052000000001e-10 5.102361e-10 5.05606e-10 5.00803e-10 4.958137e-10 4.906231000000001e-10 4.852142e-10 4.795678e-10 4.736622e-10 4.674723e-10 4.6096950000000006e-10 4.541203000000001e-10 4.4688590000000003e-10 4.392202e-10 4.3106859999999996e-10 4.2236520000000003e-10 4.1303e-10 4.02964e-10 3.920428e-10 3.801078e-10 3.66951e-10 3.522937e-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" [ 1.51878 1.76937 1.94579 2.11846 2.29255 2.4498 2.58504 2.70145 2.80355 2.89464 2.97665 3.05055 3.11691 3.17616 3.22849 3.27397 3.31273 3.34505 3.37126 3.39171 3.40678 3.41691 3.42263 3.42445 3.42256 3.41658 3.40591 3.3899 3.36788 3.33929 3.3039 3.26205 3.21392 3.15804 3.08928 2.99392 2.86062 2.70392 2.54739 2.31585 1.98435 1.55729 0.999028 0.257842 -0.737184 -2.08747 -3.96348 -6.68661 -10.9315 -18.1384 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.43335382818652e-19 2.83484327090058e-19 3.1174992726708597e-19 3.3941471120636394e-19 3.6730700422766993e-19 3.9250123179732e-19 4.1416906859553593e-19 4.3282000679192997e-19 4.4917823022507e-19 4.637724571841759e-19 4.769119077596099e-19 4.887519930848699e-19 4.993840372280939e-19 5.088769337845439e-19 5.17261124110266e-19 5.245478234416979e-19 5.30757860075082e-19 5.3593609495617e-19 5.40135399913884e-19 5.434118511304139e-19 5.458263313178519e-19 5.47449336248094e-19 5.48365781282742e-19 5.4865737743013e-19 5.483545660463039e-19 5.47396464419172e-19 5.456869419506939e-19 5.431218571596599e-19 5.39593864211592e-19 5.350132412149859e-19 5.2934313810726e-19 5.226380288939699e-19 5.14926752754528e-19 5.05973789723736e-19 4.94957223188352e-19 4.79678866806528e-19 4.58321852275308e-19 4.33215744420528e-19 4.0813687356852597e-19 3.7104007578489e-19 3.1792792036779e-19 2.49505365036186e-19 1.600619318311752e-19 4.13108427663828e-20 -1.1810989797586559e-19 -3.34449565817598e-19 -6.350195045326319e-19 -1.071313030267074e-18 -1.7514193874571e-18 -2.90609206581456e-18 ] } }