{ "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 3.513081 3.495275 3.476483 3.456589 3.435457 3.412922 3.388784 3.362797 3.334656 3.303969 3.270231 3.232766 3.190648 3.142556 3.086509 3.019344 2.935532 2.824 ] "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 3.513081e-10 3.495275e-10 3.476483e-10 3.4565890000000004e-10 3.435457e-10 3.412922e-10 3.388784e-10 3.362797e-10 3.334656e-10 3.303969e-10 3.270231e-10 3.232766e-10 3.190648e-10 3.142556e-10 3.086509e-10 3.0193439999999997e-10 2.9355319999999997e-10 2.824e-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 4.19891 4.19545 4.18908 4.1792 4.16493 4.1448 4.1166 4.07748 4.02353 3.94911 3.8468 3.70714 3.51859 3.26794 2.93541 2.48113 1.8386 1.16015 ] "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 6.727395490268939e-19 6.7218519591153e-19 6.711646093956719e-19 6.6958165888128e-19 6.67295352824562e-19 6.6407017126032e-19 6.5955203315244e-19 6.53284318160232e-19 6.44640575219802e-19 6.32717176709574e-19 6.1632530756712e-19 5.939493086966759e-19 5.63740268262606e-19 5.23581710931396e-19 4.70304531320994e-19 3.9752085119164196e-19 2.9457619592723997e-19 1.8587652219351e-19 ] } }