{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 7.40331 6.907261 6.599829 6.376464 6.200926 6.056303 5.933318 5.826332 5.731657 5.64675 5.569783 5.499396 5.434553 5.374444 5.318424 5.265973 5.216662 5.170137 5.1261 5.084298 5.044515 5.006566 4.970288 4.93554 4.911885 4.886988 4.860714 4.832899 4.803353 4.771844 4.738095 4.701762 4.662415 4.61951 4.572338 4.519955 4.461068 4.393826 4.315463 4.221555 4.104371 3.94843 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.403310000000001e-10 6.907261e-10 6.599829e-10 6.376464000000001e-10 6.200926e-10 6.056303e-10 5.933318e-10 5.826332e-10 5.731657000000001e-10 5.64675e-10 5.569783e-10 5.499396e-10 5.434553000000001e-10 5.374444e-10 5.318424e-10 5.265973e-10 5.216662e-10 5.170137000000001e-10 5.126100000000001e-10 5.084298000000001e-10 5.044515e-10 5.006566000000001e-10 4.970288e-10 4.935539999999999e-10 4.911885e-10 4.886988e-10 4.860714e-10 4.832899000000001e-10 4.803353000000001e-10 4.771844e-10 4.738095000000001e-10 4.701762000000001e-10 4.662415e-10 4.61951e-10 4.5723380000000006e-10 4.5199550000000005e-10 4.4610680000000004e-10 4.393826e-10 4.3154630000000003e-10 4.2215550000000003e-10 4.1043710000000004e-10 3.9484300000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.46488 0.684899 0.862641 1.01357 1.14493 1.2607 1.36359 1.45545 1.53765 1.61133 1.67729 1.73618 1.78856 1.83494 1.87571 1.91119 1.9417 1.96749 1.98884 2.00592 2.01893 2.02803 2.03337 2.03511 2.03425 2.03141 2.02612 2.01778 2.00561 1.98859 1.96539 1.93422 1.89251 1.83666 1.76149 1.65921 1.51761 1.3167 1.02138 0.564419 -0.199074 -1.64486 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.448198674775041e-20 1.0973291654092993e-19 1.3821032423435328e-19 1.6239181575442563e-19 1.834380078452544e-19 2.01986406584256e-19 2.1847120183566723e-19 2.33188796274336e-19 2.46358688097312e-19 2.581635254393664e-19 2.6873148243016323e-19 2.7816670055005443e-19 2.865589016898048e-19 2.939897968570752e-19 3.005218709400768e-19 3.062063935906752e-19 3.1109463446073604e-19 3.1522664796577923e-19 3.1864729505118722e-19 3.2138381271951363e-19 3.2346824450317446e-19 3.2492622522810246e-19 3.2578178754360965e-19 3.260605662756288e-19 3.2592277908624003e-19 3.2546776092593286e-19 3.2462020949352962e-19 3.2328399419178245e-19 3.213341452442688e-19 3.186072406356672e-19 3.1489019087541124e-19 3.098962063483776e-19 3.032135276630208e-19 2.9426537123585283e-19 2.822218095772992e-19 2.6583474709975683e-19 2.431479261492288e-19 2.10958595660736e-19 1.636431156952704e-19 9.042989261353153e-20 -3.1895170860913923e-20 -2.635356236489088e-19 ] } }