{ "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" [ 8.11438 7.570687 7.233728 6.988909 6.796512 6.637998 6.503201 6.385939 6.282171 6.189109 6.104749 6.027602 5.956531 5.890649 5.829249 5.77176 5.717713 5.666719 5.618453 5.572636 5.529032 5.487437 5.447675 5.40959 5.383663 5.356375 5.327577 5.297091 5.264706 5.230172 5.193181 5.153358 5.110232 5.063206 5.011503 4.954089 4.889545 4.815846 4.729956 4.627028 4.498589 4.32767 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.114380000000001e-10 7.570687000000001e-10 7.233728e-10 6.988909e-10 6.796512e-10 6.637998e-10 6.503201e-10 6.385939e-10 6.282171e-10 6.189109000000001e-10 6.104749e-10 6.027602000000001e-10 5.956531000000001e-10 5.890649e-10 5.829249e-10 5.771759999999999e-10 5.717713e-10 5.666719e-10 5.618453e-10 5.572636e-10 5.529032e-10 5.487437000000001e-10 5.447675e-10 5.40959e-10 5.383663e-10 5.356375000000001e-10 5.327577e-10 5.297091e-10 5.264706e-10 5.230172e-10 5.193181e-10 5.153358e-10 5.110232e-10 5.063206e-10 5.011503000000001e-10 4.954089e-10 4.889545e-10 4.815846e-10 4.729956e-10 4.6270280000000003e-10 4.498589e-10 4.3276700000000007e-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" [ 0.0968822 0.485855 0.890855 1.19344 1.42418 1.60949 1.76444 1.89789 2.01509 2.11918 2.21206 2.29495 2.36872 2.43402 2.49138 2.54126 2.58405 2.62014 2.64986 2.67352 2.69145 2.70392 2.71121 2.71358 2.71243 2.70868 2.70173 2.69088 2.67522 2.65361 2.62457 2.58619 2.536 2.47069 2.38587 2.27569 2.13244 1.94509 1.69013 1.3155 0.692668 -0.535006 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5522239581166976e-20 7.78425522098784e-20 1.427307053522784e-19 1.9121016663275523e-19 2.281787899810944e-19 2.5786872494113922e-19 2.8269445168043524e-19 3.0407549868501125e-19 3.228530086807872e-19 3.3953006512669445e-19 3.5441108158068486e-19 3.6769152359049603e-19 3.7951078052213765e-19 3.899729938559616e-19 3.9916307895287043e-19 4.071547359374208e-19 4.1401044969782403e-19 4.1979270512229123e-19 4.245543740393088e-19 4.283451239241216e-19 4.3121782660521604e-19 4.3321574085135364e-19 4.343837276079168e-19 4.347634434670464e-19 4.345791931556544e-19 4.3397837692285445e-19 4.3286486417139844e-19 4.311265025378304e-19 4.286174939496576e-19 4.251551902721088e-19 4.205024693653056e-19 4.1435331549467528e-19 4.0631199103488e-19 3.958481755244352e-19 3.8225851342680966e-19 3.6460573141883523e-19 3.416545513258752e-19 3.1163777233518724e-19 2.707886772112704e-19 2.1076633446624e-19 1.1097764755762944e-19 -8.571741051877248e-20 ] } }