{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.79863 7.276094 6.952246 6.716954 6.532043 6.379697 6.250146 6.137447 6.037717 5.948276 5.867199 5.793054 5.724749 5.66143 5.602419 5.547167 5.495223 5.446214 5.399825 5.355791 5.313884 5.273908 5.235693 5.19909 5.174171 5.147946 5.120268 5.090968 5.059844 5.026653 4.991102 4.952828 4.91138 4.866184 4.816493 4.761314 4.699282 4.62845 4.545902 4.44698 4.323538 4.15927 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.798630000000001e-10 7.276093999999999e-10 6.952246e-10 6.716954e-10 6.532043e-10 6.379697e-10 6.250146e-10 6.137447e-10 6.037717e-10 5.948276e-10 5.867199000000001e-10 5.793054e-10 5.724749e-10 5.66143e-10 5.602419e-10 5.547167e-10 5.495223e-10 5.446214000000001e-10 5.399825e-10 5.355791e-10 5.313884e-10 5.273908e-10 5.235693000000001e-10 5.19909e-10 5.174171000000001e-10 5.147946000000001e-10 5.120268000000001e-10 5.090968e-10 5.059844e-10 5.026652999999999e-10 4.991102e-10 4.952828e-10 4.91138e-10 4.866184e-10 4.816493000000001e-10 4.761314e-10 4.699282e-10 4.62845e-10 4.545902e-10 4.44698e-10 4.3235380000000003e-10 4.1592700000000006e-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" [ 0.493722 0.670945 0.820082 0.967045 1.11898 1.27271 1.42272 1.59247 1.72765 1.84892 1.95756 2.05396 2.1388 2.21287 2.27699 2.33197 2.37854 2.41737 2.44909 2.47423 2.49329 2.52466 2.54621 2.55023 2.54907 2.54538 2.53863 2.52816 2.5131 2.49234 2.46445 2.42749 2.37887 2.31498 2.23067 2.11841 1.96665 1.75693 1.45778 1.01095 0.295612 -0.986779 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.910298455746176e-20 1.0749723928426561e-19 1.3139162075389055e-19 1.5493768902615362e-19 1.7928035951427843e-19 2.039106207058368e-19 2.279448721944576e-19 2.551418203325376e-19 2.76800043892512e-19 2.962296397729536e-19 3.136356865813248e-19 3.290806692058368e-19 3.4267353565670397e-19 3.5454085788696964e-19 3.6481401437953923e-19 3.736227814406976e-19 3.8108411796376323e-19 3.873053697823296e-19 3.923874740235072e-19 3.964153460481984e-19 3.994690946874432e-19 4.044951227468928e-19 4.079478133647168e-19 4.0859188836627843e-19 4.0840603587826563e-19 4.0781483270519047e-19 4.067333634861504e-19 4.0505588456417286e-19 4.0264300657324804e-19 3.993168879084672e-19 3.94848417313056e-19 3.8892677252257925e-19 3.8113698979224965e-19 3.7090068336195837e-19 3.5739273227199363e-19 3.394066975268928e-19 3.1509206512963204e-19 2.8149121703821445e-19 2.335621034269824e-19 1.6197204547977602e-19 4.7362263522792963e-20 -1.5809942436964032e-19 ] } }