{ "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" [ [ -2.7505496 0.2610069 -1.0031492 ] [ 1.2413167 0.0445445 -0.0567712 ] [ 0.2251539 0.0214111 -0.4505587 ] [ 3.0730732 -4.0480852 -4.5603516 ] [ -1.8978616 -0.8643553 3.7248285 ] [ -1.1498902 2.0162163 -1.0707564 ] [ 1.2587576 2.5692618 3.4167586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.406866263470792e-09 4.181791530474835e-10 -1.607222195414223e-09 ] [ 1.988808595748607e-09 7.136815648522561e-11 -9.095748937476097e-11 ] [ 3.607363146619411e-10 3.430436384561088e-11 -7.218746154380409e-10 ] [ 4.923606035047043e-09 -6.485747466446492e-09 -7.306488716147873e-09 ] [ -3.040709485034082e-09 -1.38484985372457e-09 5.967833139189533e-09 ] [ -1.842327194927036e-09 3.230334618335879e-09 -1.715540870651973e-09 ] [ 2.016751997974318e-09 4.116411188674526e-09 5.474250747837339e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.907605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.708896944472118e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5987019 2.9211633 1.2938377 ] [ 0.2981261 2.7362467 1.6370642 ] [ 2.4888517 4.2499331 3.7589314 ] [ 4.7565101 2.3967967 2.3183058 ] [ 3.7003097 2.3094549 4.4657795 ] [ 3.9972999 4.8229958 2.0117481 ] [ 5.1767218 4.1890626 4.0606073 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5987019e-10 2.9211633e-10 1.2938377e-10 ] [ 2.981261e-11 2.7362467e-10 1.6370642e-10 ] [ 2.4888517e-10 4.2499331e-10 3.7589314e-10 ] [ 4.7565101e-10 2.3967967e-10 2.3183058e-10 ] [ 3.7003097e-10 2.3094549e-10 4.4657795e-10 ] [ 3.9972999e-10 4.822995800000001e-10 2.0117481e-10 ] [ 5.1767218e-10 4.1890626e-10 4.0606073e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.7212534 0.4013273 0.0431029 ] [ 0.0182298 -0.0179936 0.0527472 ] [ -0.0936641 -0.2753792 0.0863017 ] [ -0.3097682 0.0864442 0.1589739 ] [ -0.1101588 0.3153148 0.0529583 ] [ -0.2751296 -0.2964913 0.1757448 ] [ 0.0492374 -0.2132223 -0.5698289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.155575335152511e-09 6.429972173487878e-10 6.905845866868033e-11 ] [ 2.920735936185984e-11 -2.882892524402688e-11 8.451033065266176e-11 ] [ -1.500664312282733e-10 -4.412061160946073e-10 1.382705660752954e-10 ] [ -4.963033679072986e-10 1.384988762437594e-10 2.547042658973971e-10 ] [ -1.764938539353831e-10 5.051900007522279e-10 8.484855013731264e-11 ] [ -4.408062128100556e-10 -4.750314291305991e-10 2.815742097871719e-10 ] [ 7.888701114897792e-11 -3.416197840932039e-10 -9.129665414361812e-10 ] ] } "relaxed-potential-energy" { "source-value" -19.036089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.049917674726805e-18 } }