{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6859625 -3.9235142 -0.9203161 ] [ -2.620849 -4.224626 4.7006576 ] [ -3.9613239 0.0046493 -1.4655123 ] [ 1.9253675 4.6703656 -3.0894024 ] [ 3.2113681 2.4450875 0.4217871 ] [ -2.9066634 2.5194631 -5.9725081 ] [ 3.6661381 -1.4914252 6.3252942 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.09903308024552e-09 -6.286162722616815e-09 -1.474508939165835e-09 ] [ -4.19906299444706e-09 -6.768597008823821e-09 7.53128370910584e-09 ] [ -6.346740539996277e-09 7.44899976308544e-12 -2.348009544554836e-09 ] [ 3.084778794948144e-09 7.482750574908565e-09 -4.94976829752341e-09 ] [ 5.145178890602917e-09 3.91746202831032e-09 6.757774305750317e-10 ] [ -4.656988144015039e-09 4.036624875788292e-09 -9.569012845358628e-09 ] [ 5.873800752444132e-09 -2.389526587111964e-09 1.013423848692184e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -25.826799 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.137909354790082e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0443537 2.3459178 2.1954492 ] [ 4.3664872 1.6488823 1.9441531 ] [ 5.5337326 2.1514491 4.0241239 ] [ 3.2304633 1.3550555 4.0806116 ] [ 5.7711234 3.6345194 2.1040656 ] [ 3.6145684 3.7547029 0.9738739 ] [ 3.7112075 3.6477755 3.4070908 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0443537e-10 2.3459178e-10 2.1954492e-10 ] [ 4.3664872e-10 1.6488823e-10 1.9441531e-10 ] [ 5.5337326e-10 2.1514491e-10 4.024123900000001e-10 ] [ 3.2304633e-10 1.3550555e-10 4.0806116e-10 ] [ 5.7711234e-10 3.6345194e-10 2.1040656e-10 ] [ 3.6145684e-10 3.7547029e-10 9.738739e-11 ] [ 3.7112075e-10 3.6477755e-10 3.4070908e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 -7.5e-06 3.3e-06 ] [ 1.33e-05 -3.43e-05 2.64e-05 ] [ 1.37e-05 -8.7e-06 3.12e-05 ] [ -6.3e-06 -6e-06 -5.12e-05 ] [ -1.44e-05 -9e-07 -5.53e-05 ] [ 1.22e-05 1.46e-05 8.4e-06 ] [ -1.46e-05 4.28e-05 3.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 -1.2016324656e-14 5.28718284864e-15 ] [ 2.130894905664e-14 -5.495465809344e-14 4.229746278912e-14 ] [ 2.194981970496e-14 -1.393893660096e-14 4.998791056896e-14 ] [ -1.009371271104e-14 -9.6130597248e-15 -8.203144298496001e-14 ] [ -2.307134333952e-14 -1.44195895872e-15 -8.860036713024e-14 ] [ 1.954655477376e-14 2.339177866368e-14 1.345828361472e-14 ] [ -2.339177866368e-14 6.857315937023999e-14 5.976118795584e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }