{ "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" [ [ 4.637554741118556e-10 -9.885107794276565e-10 1.651991029251337e-09 ] [ 3.032258669212158e-10 3.288326549741208e-10 -3.905416095562745e-10 ] [ 1.90412284244364e-10 -5.288394137735304e-10 -1.021647637442698e-09 ] [ -1.42331860676939e-09 -3.508190044871759e-10 9.566317902879684e-10 ] [ -9.727535324499298e-11 3.605464597028435e-10 -1.304828992931267e-09 ] [ 9.758188167860987e-10 1.400361338216131e-09 3.700188483983784e-10 ] [ -4.126186422668141e-10 -2.215712552047326e-10 -2.616234280074449e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.536004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.290230576453053e-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" [ [ 1.89056842812e-14 2.45133025002e-14 4.598246939579999e-14 ] [ 2.22702552126e-14 -3.71704979088e-14 1.42593720426e-14 ] [ 4.165659248399999e-15 -6.568924199399999e-15 1.13754541014e-14 ] [ 3.685006258199999e-15 -9.613059803999998e-16 -5.1269652288e-15 ] [ 4.9667475654e-15 6.10429297554e-14 -2.8839179412e-14 ] [ 2.403264951e-15 -3.6850062582e-14 -5.9280535458e-15 ] [ -5.62363998534e-14 -4.005441585e-15 -3.17230973532e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }