{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.5047976 2.6241941 0.3567368 ] [ 3.6836559 2.2395752 -0.6329881 ] [ 1.6206334 -3.7577765 3.5234785 ] [ -5.6595658 4.9016903 1.1147208 ] [ -5.1495211 -6.0076833 -4.3619481 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.819658016955951e-09 4.204422435461297e-09 5.715553607390056e-10 ] [ 5.901867362051983e-09 3.588195025963484e-09 -1.014158735064613e-09 ] [ 2.596540944367615e-09 -6.02062165449165e-09 5.645234876591453e-09 ] [ -9.06762400863925e-09 7.853373601062139e-09 1.785979604479473e-09 ] [ -8.250442314736299e-09 -9.625369728430594e-09 -6.988611266962981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.822256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.175875513471253e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6114056 2.0754496 1.9923519 ] [ 2.0861004 2.2927905 4.141671 ] [ 1.8854492 4.0193801 2.7681935 ] [ 3.8463721 1.0878319 3.543894 ] [ 3.9002208 3.2925789 3.3341136 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6114056e-10 2.0754496e-10 1.9923519e-10 ] [ 2.0861004e-10 2.2927905e-10 4.141671e-10 ] [ 1.8854492e-10 4.0193801e-10 2.7681935e-10 ] [ 3.8463721e-10 1.0878319e-10 3.543894e-10 ] [ 3.9002208e-10 3.2925789e-10 3.3341136e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.92e-05 1.3e-06 -2.4e-05 ] [ 1.1e-06 -4.76e-05 7.43e-05 ] [ -6.27e-05 8.12e-05 1e-07 ] [ -3.87e-05 5.74e-05 1.32e-05 ] [ 1.1e-06 -9.23e-05 -6.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5893592078336e-13 2.08282960704e-15 -3.84522388992e-14 ] [ 1.76239428288e-15 -7.626360715008e-14 1.1904172292544e-13 ] [ -1.0045647412416e-13 1.3009674160896e-13 1.6021766208e-16 ] [ -6.200423522496e-14 9.196493803392e-14 2.114873139456e-14 ] [ 1.76239428288e-15 -1.4788090209984e-13 -1.0189843308288e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }