{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.887739 1.995765 3.859098 ] [ 2.327199 3.871069 1.984027 ] [ 1.151407 3.535975 3.566474 ] [ 2.937456 4.643275 4.143131 ] [ 3.294842 1.915913 1.493263 ] [ 5.055976 2.713207 3.11233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.887739e-10 1.995765e-10 3.859098e-10 ] [ 2.327199e-10 3.871069e-10 1.984027e-10 ] [ 1.151407e-10 3.535975e-10 3.566474e-10 ] [ 2.937456e-10 4.643275e-10 4.143131e-10 ] [ 3.294842e-10 1.915913e-10 1.493263e-10 ] [ 5.055976000000001e-10 2.713207e-10 3.11233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.736502 -27.9553871 19.5858045 ] [ -6.7891233 16.3818603 -31.9128456 ] [ -21.2302754 -1.2988678 7.0129019 ] [ 9.3429427 20.1399793 14.1492464 ] [ 1.5669074 -6.3456031 -11.2980342 ] [ 14.3730465 -0.9219817 2.4629271 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.384359527172442e-09 -4.478946763703391e-08 3.137991806945943e-08 ] [ -1.087737462698854e-08 2.624663357787167e-08 -5.113001512352015e-08 ] [ -3.401465089902537e-08 -2.08101562266993e-09 1.12359074681439e-08 ] [ 1.496904436341403e-08 3.226780397785595e-08 2.266959178401857e-08 ] [ 2.510462403238514e-09 -1.016677693169601e-08 -1.810144625623883e-08 ] [ 2.302815907197127e-08 -1.47717752454544e-09 3.946044218354743e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 10.585941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.696054717936817e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5294478 1.526297 4.3442801 ] [ 1.6373758 3.4400919 1.355927 ] [ 1.3958289 3.6638319 3.7215048 ] [ 3.5962051 4.7682107 4.1465949 ] [ 3.8976394 2.6840853 1.1542474 ] [ 4.598122 2.5926871 3.4357688 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5294478e-10 1.526297e-10 4.3442801e-10 ] [ 1.6373758e-10 3.4400919e-10 1.355927e-10 ] [ 1.3958289e-10 3.6638319e-10 3.7215048e-10 ] [ 3.5962051e-10 4.7682107e-10 4.1465949e-10 ] [ 3.8976394e-10 2.6840853e-10 1.1542474e-10 ] [ 4.598122e-10 2.5926871e-10 3.4357688e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.23e-05 -5.26e-05 8.6e-06 ] [ 1.2e-05 1.85e-05 -1.33e-05 ] [ -3.5e-05 1.33e-05 2.8e-05 ] [ 7.9e-06 3.45e-05 1.02e-05 ] [ 4.6e-06 -3.78e-05 -3.85e-05 ] [ 2.27e-05 2.41e-05 5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.970677243584e-14 -8.427449025408001e-14 1.377871893888e-14 ] [ 1.92261194496e-14 2.96402674848e-14 -2.130894905664e-14 ] [ -5.6076181728e-14 2.130894905664e-14 4.48609453824e-14 ] [ 1.265719530432e-14 5.52750934176e-14 1.634220153216e-14 ] [ 7.370012455680001e-15 -6.056227626623999e-14 -6.16837999008e-14 ] [ 3.636940929216e-14 3.861245656128e-14 8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }