{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30824 4.019572 3.840667 3.710683 3.608532 3.52437 3.452801 3.390542 3.335448 3.286037 3.241247 3.200287 3.162553 3.127573 3.094974 3.06445 3.035755 3.00868 2.983053 2.958727 2.935577 2.913492 2.892381 2.87216 2.851718 2.830652 2.808923 2.786488 2.7633 2.739306 2.714449 2.688663 2.661877 2.63401 2.604971 2.574658 2.542952 2.50972 2.474809 2.438038 2.399198 2.358043 2.314279 2.267554 2.217436 2.163394 2.104762 2.040686 1.970052 1.891361 1.802536 1.700578 1.580915 1.43608 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30824e-10 4.019572e-10 3.840667e-10 3.710683e-10 3.608532e-10 3.52437e-10 3.452801e-10 3.3905420000000003e-10 3.335448e-10 3.286037e-10 3.241247e-10 3.200287e-10 3.162553e-10 3.127573e-10 3.094974e-10 3.06445e-10 3.035755e-10 3.00868e-10 2.9830530000000003e-10 2.958727e-10 2.935577e-10 2.9134920000000004e-10 2.892381e-10 2.8721600000000003e-10 2.851718e-10 2.830652e-10 2.808923e-10 2.786488e-10 2.7633e-10 2.739306e-10 2.714449e-10 2.6886630000000003e-10 2.6618770000000003e-10 2.63401e-10 2.604971e-10 2.574658e-10 2.542952e-10 2.5097200000000003e-10 2.4748090000000004e-10 2.4380380000000005e-10 2.399198e-10 2.358043e-10 2.314279e-10 2.267554e-10 2.2174360000000004e-10 2.163394e-10 2.104762e-10 2.0406860000000002e-10 1.970052e-10 1.891361e-10 1.802536e-10 1.700578e-10 1.580915e-10 1.4360800000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06829 1.4904 1.80842 2.06483 2.27871 2.46073 2.61761 2.75393 2.873 2.97729 3.06871 3.1488 3.21879 3.2797 3.33238 3.37756 3.41585 3.44781 3.47388 3.49449 3.51 3.52074 3.52699 3.52902 3.52685 3.51984 3.50718 3.48789 3.46081 3.42457 3.37753 3.31769 3.24267 3.14955 3.03477 2.89392 2.72155 2.51079 2.25302 1.93716 1.54893 1.06965 0.474516 -0.270426 -1.21482 -2.43504 -4.05499 -6.28827 -9.52872 -14.5701 -23.1867 -39.7897 -76.7566 -173.892 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7115892763358598e-19 2.3878840553135995e-19 2.8974082684582797e-19 3.30822237918222e-19 3.6508959176621393e-19 3.9425241085828194e-19 4.1938735789247396e-19 4.412282297671619e-19 4.603053469482e-19 4.770144470641859e-19 4.916615458522139e-19 5.0449337851392e-19 5.15707012775286e-19 5.2546587065298e-19 5.339061371608919e-19 5.411447711933039e-19 5.4727950552489e-19 5.52400062047154e-19 5.56576936531992e-19 5.59879022574666e-19 5.623639985339999e-19 5.640847362389159e-19 5.65086096635166e-19 5.654113384918679e-19 5.6506366616229e-19 5.63940540341856e-19 5.619121847232119e-19 5.588215859962259e-19 5.54482891671354e-19 5.48676603549738e-19 5.41139964663402e-19 5.315525396855459e-19 5.195330105772779e-19 5.0461354176147e-19 4.862237583564179e-19 4.636571004665279e-19 4.3604038182627e-19 4.02272907088086e-19 3.6097359999346793e-19 3.1036724883194396e-19 2.48165945370162e-19 1.7137682365581e-19 7.602584476591439e-20 -4.3327021842608397e-20 -1.94635621851588e-19 -3.9013641908553594e-19 -6.4968102291036595e-19 -1.0074919262283178e-18 -1.5266692535928479e-18 -2.3343873775043397e-18 -3.7149188959567794e-18 -6.37501276138698e-18 -1.229776310252844e-17 -2.78605699239528e-17 ] } }