{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8802545 -4.8174512 1.1484915 ] [ -1.5921821 1.1875012 -5.9835917 ] [ -1.9182346 4.2424625 4.6269277 ] [ 2.0135999 -4.0790081 1.1334068 ] [ 0.6165622 3.4664956 -0.9252342 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.410323180253994e-09 -7.718407684484905e-09 1.840086230487523e-09 ] [ -2.550956936676248e-09 1.902586659811945e-09 -9.586770730152927e-09 ] [ -3.073350629329639e-09 6.797174232120721e-09 7.413155387071917e-09 ] [ 3.226142683425218e-09 -6.535291413873829e-09 1.815917876815741e-09 ] [ 9.878415421090138e-10 5.553938206426068e-09 -1.482388604004591e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9377149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.51326799375581e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1772397 0.1523944 2.302564 ] [ 0.2687909 1.5056409 0.3056472 ] [ 0.2149431 2.3202239 3.3639005 ] [ 2.563251 0.5147592 2.2480565 ] [ 1.8540912 2.7413564 1.6425059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.772397e-11 1.523944e-11 2.302564e-10 ] [ 2.687909e-11 1.5056409e-10 3.056472e-11 ] [ 2.149431e-11 2.3202239e-10 3.3639005e-10 ] [ 2.563251e-10 5.147592e-11 2.2480565e-10 ] [ 1.8540912e-10 2.7413564e-10 1.6425059e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.28e-05 -2.09e-05 9.9e-06 ] [ 7.7e-06 1.36e-05 9.4e-06 ] [ 1.35e-05 -3.7e-06 -2.01e-05 ] [ 1.22e-05 -4.1e-06 5.4e-06 ] [ -1.06e-05 1.52e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.652962695424e-14 -3.348549137472e-14 1.586154854592e-14 ] [ 1.233675998016e-14 2.178960204288e-14 1.506046023552e-14 ] [ 2.16293843808e-14 -5.928053496960001e-15 -3.220375007808e-14 ] [ 1.954655477376e-14 -6.568924145279999e-15 8.65175375232e-15 ] [ -1.698307218048e-14 2.435308463616e-14 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.3509582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337970998931805e-18 } }