{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.295 4.940215 4.720334 4.560579 4.43503 4.331592 4.243631 4.167113 4.099399 4.038672 3.983623 3.933281 3.886904 3.843913 3.803847 3.766332 3.731064 3.697789 3.666293 3.636395 3.607941 3.580799 3.554852 3.53 3.504876 3.478985 3.452279 3.424706 3.396207 3.366718 3.336167 3.304475 3.271554 3.237304 3.201614 3.164358 3.12539 3.084547 3.041639 2.996446 2.948711 2.89813 2.844342 2.786915 2.725318 2.658898 2.586837 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.295e-10 4.940215000000001e-10 4.720334e-10 4.560579e-10 4.4350300000000005e-10 4.331592e-10 4.243631e-10 4.167113e-10 4.099399e-10 4.038672e-10 3.983623e-10 3.9332810000000004e-10 3.886904e-10 3.843913e-10 3.8038470000000003e-10 3.766332e-10 3.731064e-10 3.6977890000000005e-10 3.6662930000000004e-10 3.636395e-10 3.607941e-10 3.580799e-10 3.554852e-10 3.5299999999999997e-10 3.504876e-10 3.4789850000000005e-10 3.452279e-10 3.424706e-10 3.3962070000000003e-10 3.3667180000000004e-10 3.336167e-10 3.304475e-10 3.271554e-10 3.237304e-10 3.2016140000000004e-10 3.164358e-10 3.12539e-10 3.084547e-10 3.041639e-10 2.9964460000000003e-10 2.948711e-10 2.8981300000000003e-10 2.844342e-10 2.786915e-10 2.7253180000000005e-10 2.6588980000000004e-10 2.586837e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.511589 1.04292 1.65821 2.21097 2.60264 2.87934 3.0935 3.26849 3.41342 3.53481 3.63731 3.72532 3.8029 3.87328 3.9376 3.99542 4.04612 4.08933 4.1251 4.15363 4.17497 4.18941 4.1975 4.2 4.19761 4.1901 4.17662 4.15602 4.12606 4.08401 4.02675 3.95048 3.85123 3.72551 3.57072 3.38567 3.17084 2.92298 2.63872 2.31115 1.94106 1.56056 1.23897 1.11371 1.48251 3.11607 8.03053 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.196559420114258e-20 1.67094205513128e-19 2.65674531626514e-19 3.54236447247498e-19 4.1698889947137597e-19 4.61321126934156e-19 4.956333417279e-19 5.23669830646266e-19 5.468901766028279e-19 5.66338998762954e-19 5.8276130926145395e-19 5.96862065817288e-19 6.0929175214386e-19 6.20567871293952e-19 6.3087307140384e-19 6.40136856701628e-19 6.48259892236008e-19 6.5518289747152205e-19 6.609138832913399e-19 6.654848932281419e-19 6.68903938165098e-19 6.712174812245939e-19 6.725136421214999e-19 6.729141862799999e-19 6.72531266064474e-19 6.7132803141234e-19 6.691682973097079e-19 6.658678134436679e-19 6.610676922482039e-19 6.54330539502234e-19 6.451564760959499e-19 6.32936674908432e-19 6.17035071815982e-19 5.96892507173334e-19 5.720924150556479e-19 5.42444136443478e-19 5.08024575815256e-19 4.68313025764932e-19 4.22769552766848e-19 3.7028705276691e-19 3.10992097719204e-19 2.50029276795504e-19 1.9850487842269798e-19 1.7843601390521398e-19 2.37524288167134e-19 4.99249454390838e-19 1.286632752463602e-18 ] } }