{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0753243 0.1949223 -0.5130671 ] [ 1.2586982 0.9938677 -0.4961206 ] [ 0.0487753 0.084144 -0.2484003 ] [ -2.3423138 -1.7639193 1.0489844 ] [ 0.6994109 -1.6965156 -1.1751263 ] [ 1.1709446 2.3322028 -1.4659183 ] [ -0.7601908 -0.1447018 2.8496482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.206828324381254e-10 3.122999519325639e-10 -8.220241125216557e-10 ] [ 2.016656828683043e-09 1.592351593108268e-09 -7.948728264172686e-10 ] [ 7.814664533250624e-11 1.348135495805952e-10 -3.979811532597063e-10 ] [ -3.752800408937207e-09 -2.826110263437901e-09 1.680658281263915e-09 ] [ 1.120579792312687e-09 -2.718117631142485e-09 -1.882759884347207e-09 ] [ 1.876060062372008e-09 3.736600801124298e-09 -2.348660028262881e-09 ] [ -1.217959927107249e-09 -2.318378409476775e-10 4.565639723544802e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.636144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.14605708394622e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0819711 1.7402303 3.9400806 ] [ 2.2293964 4.750515 2.0036732 ] [ 2.9664944 3.1087834 0.5476159 ] [ 0.7076043 3.3567745 3.0348123 ] [ 3.8321854 2.016192 2.3812192 ] [ 4.0448096 4.2002536 3.4075764 ] [ 3.1838659 3.2404882 5.3162174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0819711e-10 1.7402303e-10 3.9400806e-10 ] [ 2.2293964e-10 4.750515e-10 2.0036732e-10 ] [ 2.9664944e-10 3.1087834e-10 5.476159000000001e-11 ] [ 7.076043e-11 3.3567745e-10 3.0348123e-10 ] [ 3.832185400000001e-10 2.016192e-10 2.3812192e-10 ] [ 4.0448096e-10 4.2002536e-10 3.4075764e-10 ] [ 3.1838659e-10 3.240488200000001e-10 5.316217400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.3e-06 4.3e-06 3.4e-06 ] [ 2.5e-06 1.8e-06 -6e-07 ] [ -5e-07 8.7e-06 -2.6e-06 ] [ -4e-06 1.1e-06 -4.4e-06 ] [ 1.3e-06 -2.49e-05 6e-07 ] [ -1.28e-05 8.5e-06 7.9e-06 ] [ 7.3e-06 4e-07 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.009371271104e-14 6.889359469440001e-15 5.44740051072e-15 ] [ 4.005441552e-15 2.88391791744e-15 -9.6130597248e-16 ] [ -8.010883104e-16 1.393893660096e-14 -4.16565921408e-15 ] [ -6.4087064832e-15 1.76239428288e-15 -7.04957713152e-15 ] [ 2.08282960704e-15 -3.989419785791999e-14 9.6130597248e-16 ] [ -2.050786074624e-14 1.36185012768e-14 1.265719530432e-14 ] [ 1.169588933184e-14 6.408706483200001e-16 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.544009 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611948415890479e-18 } }