{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.60665 4.297987 4.106691 3.967703 3.858476 3.768485 3.691959 3.625388 3.566477 3.513645 3.465752 3.421955 3.381607 3.344205 3.309347 3.276709 3.246026 3.217076 3.189674 3.163664 3.138909 3.115295 3.092721 3.0711 3.056381 3.040889 3.02454 3.007233 2.988848 2.969242 2.948242 2.925634 2.90115 2.874453 2.845101 2.812506 2.775864 2.734024 2.685263 2.62683 2.553913 2.45688 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6066500000000003e-10 4.297987e-10 4.1066909999999996e-10 3.9677030000000006e-10 3.8584760000000003e-10 3.7684850000000004e-10 3.691959e-10 3.625388e-10 3.566477e-10 3.513645e-10 3.4657520000000003e-10 3.4219550000000003e-10 3.381607e-10 3.344205e-10 3.309347e-10 3.276709e-10 3.246026e-10 3.2170760000000003e-10 3.1896740000000004e-10 3.163664e-10 3.138909e-10 3.115295e-10 3.092721e-10 3.0711e-10 3.056381e-10 3.040889e-10 3.02454e-10 3.007233e-10 2.988848e-10 2.969242e-10 2.948242e-10 2.925634e-10 2.90115e-10 2.8744530000000003e-10 2.845101e-10 2.812506e-10 2.775864e-10 2.734024e-10 2.685263e-10 2.62683e-10 2.5539130000000004e-10 2.45688e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 2.33081e-06 0.00938825 0.0917831 0.327684 0.745182 1.2892 1.85159 2.34989 2.75731 3.07856 3.32725 3.51732 3.66084 3.76755 3.84446 3.89626 3.92595 3.93551 3.93094 3.91604 3.88877 3.84672 3.78719 3.7071 3.60299 3.47084 3.30575 3.10131 2.84831 2.53277 2.13293 1.61381 0.915287 -0.0813893 -1.65523 -4.54761 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 3.734369289526848e-25 1.5041634660225601e-21 1.470527370045485e-20 5.250076438102272e-20 1.1939131786409856e-19 2.06552609953536e-19 2.9665742093070725e-19 3.764938819451712e-19 4.417697618298048e-19 4.932396857730048e-19 5.3308421615568e-19 5.635367871872256e-19 5.865312260489472e-19 6.03628052769504e-19 6.1595039316007685e-19 6.242496680558208e-19 6.290065304429761e-19 6.305382112924608e-19 6.298060165767553e-19 6.274187734117632e-19 6.230496377668416e-19 6.1631248507637765e-19 6.067747276527552e-19 5.939428950967681e-19 5.772626342976193e-19 5.560898702537472e-19 5.296395364209601e-19 4.968846375853248e-19 4.563495690790848e-19 4.0579448798636166e-19 3.417330579802944e-19 2.585608652413248e-19 1.4664514327221697e-19 -1.3040003364327745e-20 -2.651970808046784e-19 -7.286074422516288e-19 ] } }