{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.35628 8.729375 8.340844 8.058555 7.836711 7.653936 7.498509 7.3633 7.24365 7.136345 7.039074 6.950119 6.868171 6.792206 6.721408 6.65512 6.592801 6.534003 6.478349 6.42552 6.375243 6.327282 6.281434 6.23752 6.207625 6.176161 6.142955 6.107803 6.070463 6.030643 5.987991 5.942073 5.892347 5.838124 5.778508 5.712308 5.637886 5.552907 5.453873 5.335193 5.187096 4.99002 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.35628e-10 8.729374999999999e-10 8.340844000000001e-10 8.058555000000001e-10 7.836711000000001e-10 7.653936e-10 7.498509e-10 7.3633e-10 7.24365e-10 7.136345e-10 7.039074000000001e-10 6.950119e-10 6.868171e-10 6.792206e-10 6.721408000000001e-10 6.65512e-10 6.592801e-10 6.534003e-10 6.478349e-10 6.42552e-10 6.375243e-10 6.327282000000001e-10 6.281434e-10 6.237520000000001e-10 6.207625e-10 6.176161e-10 6.142955e-10 6.107803e-10 6.070463e-10 6.030643000000001e-10 5.987991000000001e-10 5.942073e-10 5.892347e-10 5.838124e-10 5.778508000000001e-10 5.712308e-10 5.637886e-10 5.552907000000001e-10 5.453873e-10 5.335193e-10 5.187096e-10 4.990020000000001e-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" [ 0.438994 0.715152 0.899352 1.05807 1.19168 1.30833 1.41012 1.49952 1.57833 1.64795 1.70943 1.76367 1.81135 1.85309 1.88937 1.92087 1.94789 1.97061 1.9893 2.00423 2.01564 2.02345 2.0279 2.02935 2.02865 2.02634 2.02207 2.01536 2.00564 1.99213 1.97384 1.94942 1.91703 1.87411 1.817 1.74027 1.6356 1.48958 1.27952 0.962643 0.449894 -0.475911 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.033459234714752e-20 1.1457998147183618e-19 1.4409207482697219e-19 1.6952150171698563e-19 1.9092818354749442e-19 2.0961757382912641e-19 2.259261296522496e-19 2.402495886422016e-19 2.528763425907264e-19 2.6403069622473603e-19 2.738808780894144e-19 2.8257108408063365e-19 2.90210262208608e-19 2.968977474238272e-19 3.027104442040896e-19 3.077573005596096e-19 3.120863817890112e-19 3.157265270714688e-19 3.1872099517574404e-19 3.2111304487059845e-19 3.229411283949312e-19 3.24192428335776e-19 3.24905396932032e-19 3.25137712542048e-19 3.25025560178592e-19 3.246554573791872e-19 3.239713279621056e-19 3.228962674495488e-19 3.213389517741312e-19 3.191744111594304e-19 3.162440301199872e-19 3.1233151481199363e-19 3.0714206473722244e-19 3.002655226807488e-19 2.9111549199936e-19 2.788219907879616e-19 2.62052008098048e-19 2.386570250811264e-19 2.0500170298460161e-19 1.5423241087767745e-19 7.208096486381953e-20 -7.624934777815488e-20 ] } }