{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2894534 -0.6169799 1.0310917 ] [ 0.1892587 0.2052412 -0.2437569 ] [ 0.118846 -0.3300756 -0.6376623 ] [ -0.8883656 -0.218964 0.5970826 ] [ -0.0607145 0.2250354 -0.8144102 ] [ 0.6090582 0.8740368 0.2309476 ] [ -0.2575363 -0.1382939 -0.1632925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.637554702910708e-10 -9.88510771283522e-10 1.651991015640927e-09 ] [ 3.03225864423001e-10 3.28832652264937e-10 -3.905416063386835e-10 ] [ 1.904122826755968e-10 -5.288394094165325e-10 -1.021647629025556e-09 ] [ -1.423318595042964e-09 -3.508190015968512e-10 9.566317824064782e-10 ] [ -9.72753524435616e-11 3.605464567323763e-10 -1.304828982181052e-09 ] [ 9.758188087465305e-10 1.400361326678845e-09 3.700188453498701e-10 ] [ -4.12618638867335e-10 -2.215712533792531e-10 -2.61623425851984e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.536004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.290230549345528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3712633 2.090548 2.1353878 ] [ 3.1445902 4.1789099 1.2594976 ] [ 2.4674587 3.9791253 3.6018486 ] [ 5.3619533 3.2862895 1.373533 ] [ 4.5968586 1.4815187 2.7268435 ] [ 4.6780502 4.8629754 3.0387088 ] [ 4.4458767 3.0160191 4.5424767 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3712633e-10 2.090548e-10 2.1353878e-10 ] [ 3.1445902e-10 4.1789099e-10 1.2594976e-10 ] [ 2.4674587e-10 3.9791253e-10 3.6018486e-10 ] [ 5.361953299999999e-10 3.2862895e-10 1.373533e-10 ] [ 4.5968586e-10 1.4815187e-10 2.7268435e-10 ] [ 4.6780502e-10 4.8629754e-10 3.0387088e-10 ] [ 4.445876700000001e-10 3.0160191e-10 4.5424767e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 1.53e-05 2.87e-05 ] [ 1.39e-05 -2.32e-05 8.9e-06 ] [ 2.6e-06 -4.1e-06 7.1e-06 ] [ 2.3e-06 -6e-07 -3.2e-06 ] [ 3.1e-06 3.81e-05 -1.8e-05 ] [ 1.5e-06 -2.3e-05 -3.7e-06 ] [ -3.51e-05 -2.5e-06 -1.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 2.451330229824e-14 4.598246901696e-14 ] [ 2.227025502912e-14 -3.717049760256e-14 1.425937192512e-14 ] [ 4.16565921408e-15 -6.568924145279999e-15 1.137545400768e-14 ] [ 3.68500622784e-15 -9.6130597248e-16 -5.126965186560001e-15 ] [ 4.96674752448e-15 6.104292925248e-14 -2.88391791744e-14 ] [ 2.4032649312e-15 -3.68500622784e-14 -5.928053496960001e-15 ] [ -5.623639939008e-14 -4.005441552e-15 -3.172309709184e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }