{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 8.76857 8.181043 7.816917 7.55236 7.34445 7.173156 7.027492 6.900776 6.788641 6.688077 6.596915 6.513549 6.436748 6.365554 6.299203 6.237079 6.178675 6.12357 6.071412 6.021901 5.974782 5.929834 5.886866 5.84571 5.817692 5.788205 5.757085 5.724141 5.689146 5.651828 5.611855 5.568821 5.522219 5.471401 5.41553 5.353489 5.283742 5.2041 5.111286 5.000061 4.861267 4.67657 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.768570000000001e-10 8.181043000000001e-10 7.816917e-10 7.55236e-10 7.34445e-10 7.173156e-10 7.027492e-10 6.900776e-10 6.788641e-10 6.688077e-10 6.596915e-10 6.513549e-10 6.436748e-10 6.365554000000001e-10 6.299203e-10 6.237079e-10 6.178675e-10 6.12357e-10 6.071412e-10 6.021901e-10 5.974782e-10 5.929834e-10 5.886866e-10 5.845710000000001e-10 5.817692e-10 5.788205e-10 5.757085e-10 5.724141000000001e-10 5.689146000000001e-10 5.651828000000001e-10 5.611855e-10 5.568821e-10 5.522219e-10 5.471401000000001e-10 5.415530000000001e-10 5.353489e-10 5.283742e-10 5.204100000000001e-10 5.111286e-10 5.000061e-10 4.861267e-10 4.67657e-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" [ 0.567896 0.872212 1.11514 1.32148 1.50045 1.65703 1.79456 1.91559 2.02214 2.11588 2.19823 2.27037 2.33333 2.38798 2.43511 2.47536 2.50935 2.53757 2.56049 2.57851 2.59201 2.60131 2.60669 2.60843 2.6076 2.60487 2.59985 2.59204 2.58079 2.5653 2.5445 2.517 2.48091 2.43365 2.37155 2.28932 2.17894 2.02776 1.81459 1.50103 1.0094 0.154156 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.098697017420639e-20 1.397437686294408e-19 1.78665125163876e-19 2.1172443782983198e-19 2.4039859304853e-19 2.65485474783702e-19 2.8752021003110397e-19 3.06911353832406e-19 3.2398254586767594e-19 3.39001349634792e-19 3.52195274215782e-19 3.63753376453458e-19 3.73840680541122e-19 3.82596575845932e-19 3.9014763432197394e-19 3.9659639527382393e-19 4.0204219365279e-19 4.06563536113938e-19 4.10235724959066e-19 4.13122847253534e-19 4.15285785709434e-19 4.1677580997905393e-19 4.1763778100814595e-19 4.1791655974246194e-19 4.1778357908184e-19 4.1734618486075796e-19 4.1654189219049e-19 4.1529059223933598e-19 4.1348814352608595e-19 4.1100637192002e-19 4.076738445213e-19 4.0326785877779996e-19 3.97485603305694e-19 3.8991371653341e-19 3.7996419963627e-19 3.6678950117488797e-19 3.4910467548879597e-19 3.2488296913598394e-19 2.9072936982900596e-19 2.40491519293302e-19 1.6172370943596e-19 2.4698514119090397e-20 ] } }