{ "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" [ 7.910298520917479e-20 1.07497240169913e-19 1.313916218363988e-19 1.5493769030265299e-19 1.79280360991332e-19 2.03910622385814e-19 2.2794487407244797e-19 2.55141822434598e-19 2.7680004617301e-19 2.9622964221352797e-19 3.1363568916530397e-19 3.2908067191706397e-19 3.4267353847991995e-19 3.54540860807958e-19 3.6481401738516597e-19 3.7362278451889797e-19 3.81084121103436e-19 3.87305372973258e-19 3.9238747725630595e-19 3.9641534931418195e-19 3.99469097978586e-19 4.04495126079444e-19 4.0794781672571397e-19 4.0859189173258197e-19 4.0840603924303795e-19 4.07814836065092e-19 4.0673336683714194e-19 4.05055887901344e-19 4.0264300989054e-19 3.9931689119835597e-19 3.9484842056612996e-19 3.88926775726866e-19 3.81136992932358e-19 3.7090068641773194e-19 3.5739273521647797e-19 3.39406700323194e-19 3.1509206772560996e-19 2.81491219357362e-19 2.33562105351252e-19 1.6197204681422998e-19 4.7362263913000797e-20 -1.5809942567218858e-19 ] } }