{ "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 5.324179 5.297193 5.268713 5.238564 5.206538 5.172385 5.135803 5.09642 5.053771 5.007265 4.956133 4.899355 4.835524 4.762639 4.677699 4.575909 4.448889 4.27986 ] "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 5.324179000000001e-10 5.297193e-10 5.268713000000001e-10 5.238564000000001e-10 5.206538e-10 5.172385e-10 5.135803e-10 5.09642e-10 5.053771000000001e-10 5.007265e-10 4.956133e-10 4.899355e-10 4.835524000000001e-10 4.762639000000001e-10 4.677699e-10 4.5759090000000005e-10 4.4488890000000006e-10 4.2798600000000006e-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 3.4236 3.42083 3.41578 3.40795 3.39676 3.38147 3.36123 3.33506 3.30202 3.26135 3.21189 3.15003 3.06454 2.92307 2.71123 2.44636 1.88113 0.755129 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.433353808138624e-19 2.8348432475448965e-19 3.117499246986432e-19 3.3941470840999677e-19 3.67307001201504e-19 3.9250122856358404e-19 4.141690651832832e-19 4.3282000322601603e-19 4.491782265243841e-19 4.637724533632512e-19 4.76911903830432e-19 4.88751989058144e-19 4.993840331137728e-19 5.088769295920129e-19 5.172611198486592e-19 5.245478191200576e-19 5.307578557022785e-19 5.35936090540704e-19 5.401353954638208e-19 5.434118466533568e-19 5.458263268209025e-19 5.474493317377728e-19 5.483657767648704e-19 5.4865737290985605e-19 5.48521187897088e-19 5.480773849731264e-19 5.472682857796224e-19 5.46013781485536e-19 5.442209458468608e-19 5.417712177936576e-19 5.3852841231315845e-19 5.343355160965248e-19 5.290419245414016e-19 5.22525872224608e-19 5.146015066581312e-19 5.046904420818625e-19 4.909934341506432e-19 4.683274414961856e-19 4.343869319611585e-19 3.919500798060288e-19 3.013902506685504e-19 1.2098500294880834e-19 ] } }