{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.11536 5.705609 5.451662 5.267155 5.122156 5.002693 4.901104 4.81273 4.734526 4.66439 4.600813 4.542672 4.489109 4.439458 4.393184 4.349857 4.309125 4.270694 4.234318 4.199789 4.166927 4.135579 4.105613 4.07691 4.05737 4.036805 4.015101 3.992126 3.96772 3.941693 3.913815 3.883803 3.851301 3.81586 3.776895 3.733626 3.684983 3.62944 3.564709 3.487139 3.390341 3.26153 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.11536e-10 5.705609e-10 5.451662e-10 5.267155e-10 5.122156000000001e-10 5.002693e-10 4.901104e-10 4.812730000000001e-10 4.734526e-10 4.66439e-10 4.600813e-10 4.5426719999999996e-10 4.4891090000000003e-10 4.439458e-10 4.393184e-10 4.3498570000000004e-10 4.309125e-10 4.2706939999999997e-10 4.234318e-10 4.199789e-10 4.166927e-10 4.135579e-10 4.1056130000000003e-10 4.0769099999999997e-10 4.0573699999999996e-10 4.0368050000000005e-10 4.0151009999999997e-10 3.992126e-10 3.96772e-10 3.941693e-10 3.913815e-10 3.883803e-10 3.851301e-10 3.81586e-10 3.776895e-10 3.7336260000000004e-10 3.684983e-10 3.62944e-10 3.5647090000000004e-10 3.4871390000000003e-10 3.390341e-10 3.2615300000000003e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 8.96557e-16 0.000173729 0.0233029 0.184084 0.569978 1.14786 1.78263 2.33135 2.68811 2.80725 2.75194 2.57878 2.2817 1.86141 1.32517 0.686184 -0.037478 -0.824093 -1.64965 -2.48909 -3.31841 -4.11879 -4.88701 -5.6625 -6.56687 -7.7105 -9.23093 -11.4224 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4364426646145858e-34 2.783445421549632e-23 3.7335361576840324e-21 2.949350810633472e-20 9.132054259703424e-20 1.8390744559514883e-19 2.856088109536704e-19 3.7352344649020804e-19 4.3068269961386884e-19 4.4977103187408e-19 4.409093929844352e-19 4.1316610261866245e-19 3.65568639567936e-19 2.9823075837233283e-19 2.123156392585536e-19 1.0993879623670273e-19 -6.0046375394342396e-21 -1.3203425379649343e-19 -2.64303066250272e-19 -3.9879618050670723e-19 -5.316678920228929e-19 -6.599029043984832e-19 -7.829853167615808e-19 -9.07232511528e-19 -1.0521285585832896e-18 -1.23535828346784e-18 -1.4789580234241346e-18 -1.8300702233425922e-18 ] } }