{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.19465 7.645578 7.305285 7.058045 6.863743 6.703661 6.56753 6.449109 6.344314 6.250331 6.165137 6.087227 6.015453 5.948919 5.886911 5.828853 5.774271 5.722773 5.674029 5.627759 5.583724 5.541718 5.501562 5.4631 5.436916 5.409359 5.380276 5.349488 5.316783 5.281907 5.244551 5.204334 5.160781 5.11329 5.061076 5.003094 4.937912 4.863484 4.776744 4.672799 4.543089 4.37048 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.194649999999999e-10 7.645578000000001e-10 7.305285e-10 7.058045e-10 6.863743000000001e-10 6.703661e-10 6.56753e-10 6.449109e-10 6.344314e-10 6.250331e-10 6.165137e-10 6.087227000000001e-10 6.015453e-10 5.948919e-10 5.886911e-10 5.828853e-10 5.774270999999999e-10 5.722773000000001e-10 5.674029e-10 5.627759e-10 5.583724e-10 5.541718e-10 5.501562e-10 5.4631e-10 5.436916e-10 5.409359e-10 5.380276e-10 5.349488e-10 5.316783e-10 5.281907e-10 5.244551000000001e-10 5.204334000000001e-10 5.160781000000001e-10 5.11329e-10 5.061076e-10 5.003094e-10 4.937912e-10 4.863484e-10 4.776744e-10 4.672799e-10 4.543089e-10 4.37048e-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" [ 0.835693 1.12173 1.3223 1.47744 1.60583 1.71668 1.81476 1.90275 1.98225 2.05428 2.11954 2.17855 2.2317 2.27929 2.32159 2.35881 2.39114 2.41875 2.44179 2.46038 2.47466 2.48474 2.49071 2.49268 2.49172 2.4885 2.48249 2.47295 2.45897 2.43929 2.41229 2.37571 2.32643 2.26 2.16991 2.04631 1.87366 1.62621 1.25833 0.681955 -0.295005 -2.17666 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3389277867662145e-19 1.797209580849984e-19 2.11855814568384e-19 2.3671198266347523e-19 2.572823282979264e-19 2.750424561394944e-19 2.907566044363008e-19 3.0485415652272e-19 3.1759146065808003e-19 3.291319388577024e-19 3.3958774348504326e-19 3.4904218772438403e-19 3.5755775646393603e-19 3.6518251500232324e-19 3.719597221083072e-19 3.7792302349092486e-19 3.8310286050597124e-19 3.8752647015600006e-19 3.9121788509032323e-19 3.941963314283904e-19 3.9648423964289284e-19 3.9809923367665923e-19 3.990557331192768e-19 3.9937136191357444e-19 3.992175529579776e-19 3.9870165208608005e-19 3.977387439369792e-19 3.96210267440736e-19 3.939704245248576e-19 3.9081734093512327e-19 3.8649146405896323e-19 3.8063070198007686e-19 3.7273517559277447e-19 3.620919163008e-19 3.476579071240128e-19 3.278550040909248e-19 3.001934247328128e-19 2.605475642511168e-19 2.016066907251264e-19 1.092612357437664e-19 -4.726501140191041e-20 -3.4873937634305284e-19 ] } }