{ "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" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 4.54543 4.24087 4.052116 3.914976 3.807201 3.718406 3.642897 3.577211 3.519083 3.466952 3.419697 3.376481 3.33667 3.299764 3.26537 3.233166 3.202891 3.174326 3.147288 3.121623 3.097198 3.073898 3.051624 3.03029 3.015766 3.00048 2.984349 2.967271 2.94913 2.929785 2.909064 2.886756 2.862598 2.836256 2.807293 2.775132 2.738976 2.697692 2.649579 2.591922 2.519974 2.42423 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.54543e-10 4.24087e-10 4.052116e-10 3.914976e-10 3.8072010000000004e-10 3.718406e-10 3.642897e-10 3.577211e-10 3.5190830000000006e-10 3.466952e-10 3.419697e-10 3.3764810000000003e-10 3.3366699999999997e-10 3.299764e-10 3.26537e-10 3.2331660000000003e-10 3.202891e-10 3.174326e-10 3.1472880000000004e-10 3.121623e-10 3.0971980000000003e-10 3.073898e-10 3.051624e-10 3.0302900000000003e-10 3.015766e-10 3.00048e-10 2.984349e-10 2.967271e-10 2.94913e-10 2.929785e-10 2.909064e-10 2.886756e-10 2.8625980000000004e-10 2.8362560000000003e-10 2.807293e-10 2.7751320000000004e-10 2.738976e-10 2.697692e-10 2.6495790000000004e-10 2.591922e-10 2.519974e-10 2.42423e-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" [ 0.995716 1.00752 1.09858 1.29349 1.5715 1.90982 2.29586 2.71941 3.17133 3.64306 4.12621 4.61245 5.09449 5.5658 6.01993 6.45063 6.85183 7.21777 7.54279 7.82128 8.04757 8.21602 8.3211 8.35733 8.33853 8.27418 8.14976 7.94563 7.6344 7.17781 6.52157 5.58699 4.2572 2.35367 -0.405684 -4.48372 -10.6804 -20.4669 -36.7821 -66.1741 -125.67 -271.58 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.595312896156493e-19 1.614224988988416e-19 1.760119192078464e-19 2.072399437238592e-19 2.5178205595872e-19 3.0598689539362562e-19 3.6783732166298877e-19 4.356975124369728e-19 5.081030782841664e-19 5.836825560171648e-19 6.610917194511169e-19 7.389959554608961e-19 8.162272772899393e-19 8.91739463604864e-19 9.644991104852544e-19 1.0335048575431105e-18 1.0977841835696064e-18 1.1564142348311616e-18 1.2084881793604032e-18 1.2531071960730624e-18 1.2893628508251458e-18 1.3163515160025216e-18 1.3331871879338879e-18 1.3389918738310463e-18 1.3359797817839425e-18 1.3256697752290944e-18 1.305735493713101e-18 1.2730302623527105e-18 1.223165719383552e-18 1.1500119370544449e-18 1.0448706984910656e-18 8.951344758643392e-19 6.82078631006976e-19 3.7709950470783363e-19 -6.499774202326272e-20 -7.183711358213377e-19 -1.7111887180792322e-18 -3.279158868025152e-18 -5.8931420683927685e-18 -1.0602259592248128e-17 -2.0134553593593602e-17 -4.35119126676864e-17 ] } }