{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.554 9.846845 9.408579 9.090155 8.839912 8.63374 8.458417 8.3059 8.170934 8.049893 7.94017 7.839829 7.74739 7.6617 7.58184 7.507067 7.436771 7.370446 7.307668 7.248076 7.191363 7.137262 7.085545 7.03601 7.002287 6.966796 6.929339 6.889687 6.847567 6.802649 6.754537 6.702741 6.646649 6.585485 6.518237 6.443563 6.359614 6.263756 6.152043 6.018171 5.851115 5.62881 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0554e-09 9.846845e-10 9.408579e-10 9.090154999999999e-10 8.839912e-10 8.63374e-10 8.458417000000001e-10 8.305899999999999e-10 8.170934000000001e-10 8.049893000000001e-10 7.940170000000001e-10 7.839829e-10 7.74739e-10 7.6617e-10 7.58184e-10 7.507067000000001e-10 7.436771000000001e-10 7.370446000000001e-10 7.307668e-10 7.248076000000001e-10 7.191363e-10 7.137262e-10 7.085545e-10 7.03601e-10 7.002287e-10 6.966796000000001e-10 6.929339e-10 6.889687e-10 6.847567e-10 6.802649e-10 6.754537e-10 6.702741e-10 6.646649000000001e-10 6.585485e-10 6.518237000000001e-10 6.443563e-10 6.359614e-10 6.263756e-10 6.152043e-10 6.018171e-10 5.851115e-10 5.62881e-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" [ 0.0620783 0.0888779 0.124205 0.145684 0.162543 0.177704 0.190108 0.199628 0.20743 0.214961 0.222979 0.231517 0.240327 0.249214 0.257845 0.265687 0.272459 0.278117 0.282654 0.286086 0.288464 0.289969 0.290789 0.291057 0.290923 0.290447 0.289503 0.287951 0.285606 0.282205 0.277285 0.270144 0.259793 0.244862 0.223932 0.195745 0.15858 0.110493 0.0498586 -0.0274838 -0.145779 -0.387064 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.946040091900866e-21 1.4239809348580032e-20 1.98998347186464e-20 2.334114988246272e-20 2.604225944746944e-20 2.847131942226432e-20 3.045865930270464e-20 3.198393144570624e-20 3.3233949645254405e-20 3.4440548858378887e-20 3.5725174072936326e-20 3.709311247177536e-20 3.8504630074700165e-20 3.992848443760512e-20 4.13113230790176e-20 4.2567749985048963e-20 4.3652743992654723e-20 4.4559255524703364e-20 4.5286163057560325e-20 4.5836030073818886e-20 4.621702767424512e-20 4.645815525567552e-20 4.658953373858113e-20 4.663247207201856e-20 4.661100290529984e-20 4.6534739298149766e-20 4.638349382514624e-20 4.613483601359808e-20 4.5759125596020484e-20 4.52142253272864e-20 4.4425954429852804e-20 4.328184010493952e-20 4.1623427084749445e-20 3.923121717223296e-20 3.587786150489856e-20 3.13618062638496e-20 2.54073168526464e-20 1.770293013620544e-20 7.988228326581888e-21 -4.403390181074304e-21 -2.335637056036032e-20 -6.201448915533312e-20 ] } }