{ "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" [ 10.1861 9.503599 9.080612 8.77329 8.531771 8.332788 8.163576 8.016377 7.886116 7.769295 7.663398 7.566555 7.477339 7.394637 7.317561 7.245394 7.177549 7.113536 7.052947 6.995432 6.940696 6.888482 6.838568 6.79076 6.742427 6.69262 6.641246 6.588203 6.533378 6.476649 6.417877 6.356911 6.29358 6.227693 6.159035 6.087364 6.012401 5.93383 5.851287 5.764347 5.672517 5.575213 5.471741 5.361266 5.24277 5.114998 4.976371 4.824874 4.65787 4.471818 4.261807 4.020742 3.737819 3.39538 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01861e-09 9.503599e-10 9.080612e-10 8.77329e-10 8.531771000000002e-10 8.332788000000001e-10 8.163576000000001e-10 8.016377e-10 7.886116e-10 7.769295e-10 7.663398e-10 7.566555000000001e-10 7.477339e-10 7.394637000000001e-10 7.317561000000001e-10 7.245394000000001e-10 7.177549e-10 7.113536e-10 7.052947e-10 6.995432e-10 6.940696e-10 6.888482e-10 6.838568000000001e-10 6.79076e-10 6.742427000000001e-10 6.69262e-10 6.641246e-10 6.588203e-10 6.533378000000001e-10 6.476649e-10 6.417877e-10 6.356911e-10 6.293580000000001e-10 6.227693000000001e-10 6.159035000000001e-10 6.087364e-10 6.012401e-10 5.933830000000001e-10 5.851287e-10 5.764347e-10 5.672517e-10 5.575213e-10 5.471740999999999e-10 5.361265999999999e-10 5.24277e-10 5.114998e-10 4.976371000000001e-10 4.824874000000001e-10 4.65787e-10 4.471818e-10 4.2618070000000004e-10 4.0207420000000003e-10 3.737819e-10 3.39538e-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" [ 0.157339 0.251154 0.336033 0.414799 0.485274 0.548143 0.604904 0.656625 0.704034 0.747569 0.787409 0.823577 0.856087 0.885018 0.910511 0.93273 0.951844 0.968031 0.981397 0.992086 1.00021 1.00589 1.00923 1.01032 1.00914 1.00533 0.998417 0.987845 0.973004 0.953096 0.927266 0.8945 0.853623 0.803309 0.741833 0.666769 0.575065 0.462897 0.325346 0.155392 -0.0565274 -0.323108 -0.66173 -1.09673 -1.66303 -2.41286 -3.42709 -4.83403 -6.84593 -9.83072 -14.4711 -22.1519 -36.0104 -64.3353 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5208486941692598e-20 4.0239307033563597e-20 5.38384220852922e-20 6.645812656065659e-20 7.77494663887716e-20 8.78221906690662e-20 9.691630546131359e-20 1.05202923230025e-19 1.127986824341556e-19 1.1977375841027459e-19 1.261568301201306e-19 1.319515825699818e-19 1.371602588071158e-19 1.4179551602694118e-19 1.458799449199974e-19 1.49439821183082e-19 1.5250222160130958e-19 1.5509566491876538e-19 1.5723713420776978e-19 1.5894970081185238e-19 1.6025130910931399e-19 1.6116134543742599e-19 1.61696472433182e-19 1.61871109686288e-19 1.6168205284347597e-19 1.61071623545922e-19 1.599640388388378e-19 1.58270217701373e-19 1.5589242735885358e-19 1.527028141158864e-19 1.485643918702644e-19 1.433146999113e-19 1.367654824844982e-19 1.287042909681906e-19 1.188547498930122e-19 1.0682817120755458e-19 9.2135570603121e-20 7.41642757348698e-20 5.21261759165364e-20 2.4896543151052797e-20 -9.056687946077159e-21 -5.17676087858472e-20 -1.06020834401682e-19 -1.75715517980682e-19 -2.66446780764102e-19 -3.8658279131132396e-19 -5.4908035206150595e-19 -7.74496991405502e-19 -1.096838908399962e-18 -1.5750549879396478e-18 -2.3185258288277396e-18 -3.54912565787046e-18 -5.769502146099359e-18 -1.030765144013802e-17 ] } }