{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.80602 8.215984 7.850303 7.584617 7.37582 7.203794 7.057508 6.930251 6.817638 6.716643 6.625093 6.54137 6.464241 6.392743 6.32611 6.26372 6.205067 6.149727 6.097346 6.047623 6.000303 5.955163 5.912011 5.87068 5.828896 5.785837 5.741424 5.695567 5.648171 5.599128 5.548319 5.495613 5.440863 5.383903 5.324548 5.262587 5.197781 5.129855 5.058496 4.983336 4.903948 4.819828 4.730375 4.634868 4.532427 4.421967 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.806020000000001e-10 8.215984e-10 7.850303e-10 7.584617e-10 7.375820000000001e-10 7.203794000000001e-10 7.057508e-10 6.930251e-10 6.817638e-10 6.716643000000001e-10 6.625093e-10 6.54137e-10 6.464241000000001e-10 6.392743e-10 6.326110000000001e-10 6.26372e-10 6.205066999999999e-10 6.149727e-10 6.097346e-10 6.047623e-10 6.000303e-10 5.955163e-10 5.912011e-10 5.87068e-10 5.828896e-10 5.785837e-10 5.741424000000001e-10 5.695567e-10 5.648171e-10 5.599128e-10 5.548319e-10 5.495613e-10 5.440863000000001e-10 5.383903e-10 5.324548e-10 5.262587e-10 5.197781000000001e-10 5.129855e-10 5.058496e-10 4.983336000000001e-10 4.903948e-10 4.819828000000001e-10 4.730375000000001e-10 4.6348680000000003e-10 4.5324270000000006e-10 4.4219670000000007e-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" [ 1.02298 1.53339 1.98197 2.39311 2.77741 3.1374 3.47701 3.79624 4.0961 4.3772 4.64015 4.88548 5.11251 5.32115 5.51202 5.68482 5.83854 5.97289 6.0875 6.18202 6.25603 6.30913 6.34183 6.35287 6.34041 6.29873 6.22014 6.09543 5.91168 5.65288 5.29835 4.82115 4.18583 3.34578 2.23758 0.775591 -1.15659 -3.72496 -7.16271 -11.8042 -18.1459 -26.9343 -39.3303 -57.1799 -83.531 -123.623 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.63899465304932e-19 2.45676162880926e-19 3.17546602328898e-19 3.8341849245917397e-19 4.44990140503794e-19 5.026668971511599e-19 5.57078417818434e-19 6.08224702505616e-19 6.5626757105274e-19 7.0130475623448e-19 7.4343399082551e-19 7.82740190187432e-19 8.19114406309134e-19 8.5254221960091e-19 8.831229650140679e-19 9.10808577249588e-19 9.354372364674359e-19 9.56962479545226e-19 9.753250259475e-19 9.904687994920679e-19 1.002326508760302e-18 1.010834066686842e-18 1.016073184280022e-18 1.017841987283958e-18 1.015845675197994e-18 1.0091678029874819e-18 9.96576296820876e-19 9.76595552018262e-19 9.471555563685119e-19 9.05691225080592e-19 8.488892568753899e-19 7.7243338790091e-19 6.70643901989622e-19 5.36053053850452e-19 3.5849983927057198e-19 1.2426337777406939e-19 -1.85306147311806e-19 -5.96804387458464e-19 -1.1475926598118138e-18 -1.89124134230628e-18 -2.90729369829006e-18 -4.31535061131462e-18 -6.30140876682102e-18 -9.16122997144566e-18 -1.33831416414654e-17 -1.98065882024982e-17 ] } }