{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5039425 0.308667 0.1790965 ] [ 1.2881286 0.1093753 0.1256866 ] [ 0.2379079 0.2301843 -0.6251145 ] [ 1.8030988 -1.9133552 -2.370835 ] [ -0.9888455 -0.3776663 1.5023052 ] [ -0.8403801 0.6821364 -0.1876093 ] [ 0.0040328 0.9606585 1.3764703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.409581512527504e-09 4.945390510124737e-10 2.869442251671072e-10 ] [ 2.063809527503835e-09 1.752385485529862e-10 2.013721320678413e-10 ] [ 3.811704752836243e-10 3.687959039352134e-10 -1.001543837223082e-09 ] [ 2.888882742352535e-09 -3.065532968726108e-09 -3.798496408774369e-09 ] [ -1.584305141683286e-09 -6.050881163240391e-10 2.406958268746268e-09 ] [ -1.346437348805566e-09 1.092902992276677e-09 -3.005832343046535e-10 ] [ 6.461257876362239e-12 1.539144589272797e-09 2.205348533885562e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.974898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.879896133686468e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1296268 3.0105553 0.9001954 ] [ 1.44434 2.699079 2.5545256 ] [ 2.322077 4.5213336 3.8333663 ] [ 4.6812068 2.0227669 2.4137634 ] [ 3.111666 2.236244 4.2074869 ] [ 3.6129751 5.1142405 1.9076157 ] [ 4.7146294 4.0214337 3.7293208 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1296268e-10 3.0105553e-10 9.001954e-11 ] [ 1.44434e-10 2.699079e-10 2.5545256e-10 ] [ 2.322077e-10 4.5213336e-10 3.8333663e-10 ] [ 4.681206800000001e-10 2.0227669e-10 2.4137634e-10 ] [ 3.111666e-10 2.236244e-10 4.2074869e-10 ] [ 3.6129751e-10 5.1142405e-10 1.9076157e-10 ] [ 4.7146294e-10 4.0214337e-10 3.7293208e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 5.6e-06 2.49e-05 ] [ 1.62e-05 -3.5e-06 -4.9e-06 ] [ 4.5e-06 -9.7e-06 -9.2e-06 ] [ -1.78e-05 1.61e-05 1.4e-06 ] [ -1.1e-06 7.8e-06 -8.1e-06 ] [ 4.7e-06 -1.31e-05 4.9e-06 ] [ -2.8e-06 -3.2e-06 -9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-15 8.972189076479999e-15 3.989419785791999e-14 ] [ 2.595526125696e-14 -5.6076181728e-15 -7.850665441919999e-15 ] [ 7.2097947936e-15 -1.554111322176e-14 -1.474002491136e-14 ] [ -2.851874385024e-14 2.579504359488e-14 2.24304726912e-15 ] [ -1.76239428288e-15 1.249697764224e-14 -1.297763062848e-14 ] [ 7.53023011776e-15 -2.098851373248e-14 7.850665441919999e-15 ] [ -4.48609453824e-15 -5.126965186560001e-15 -1.457980724928e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }