{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.570437 1.678388 2.565083 ] [ 2.924882 3.183881 4.210831 ] [ 1.144354 3.791418 3.165706 ] [ 4.144212 1.310941 0.7169232 ] [ 4.636642 2.415393 2.866782 ] [ 3.821758 3.649635 1.198039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.570437e-10 1.678388e-10 2.565083e-10 ] [ 2.924882e-10 3.183881e-10 4.210831e-10 ] [ 1.144354e-10 3.791418000000001e-10 3.165706e-10 ] [ 4.144212e-10 1.310941e-10 7.169232e-11 ] [ 4.636642e-10 2.415393e-10 2.866782e-10 ] [ 3.821758e-10 3.649635e-10 1.198039e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3053681 -1.303715 -1.4219024 ] [ 1.4124617 0.473221 2.3221226 ] [ -1.0884876 0.3095231 -1.4823494 ] [ -0.2122041 0.4631137 0.4710818 ] [ 3.0998652 -0.1533987 0.5151099 ] [ -0.9062671 0.2112559 -0.4040624 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.693606872158117e-09 -2.088781693186272e-09 -2.27813878233941e-09 ] [ 2.263013113515423e-09 7.581836226715969e-10 3.72045054035131e-09 ] [ -1.743949384750702e-09 4.959106744175405e-10 -2.374985552536908e-09 ] [ -3.399884478579053e-10 7.41989942912185e-10 7.547562464443814e-10 ] [ 4.966531551071516e-09 -2.45771810801113e-10 8.25297038922626e-10 ] [ -1.451999959820216e-09 3.384692639860627e-10 -6.473793306243379e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.695313930490681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.124898827548726e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5834665 1.2466555 3.07776 ] [ 3.0884995 3.3853154 3.9655561 ] [ 1.6560278 3.1899568 2.0875284 ] [ 3.3255977 1.9579032 0.942232 ] [ 4.7580666 2.1532608 2.8202594 ] [ 3.8306268 4.0965643 1.8300283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5834665e-10 1.2466555e-10 3.07776e-10 ] [ 3.0884995e-10 3.3853154e-10 3.9655561e-10 ] [ 1.6560278e-10 3.1899568e-10 2.0875284e-10 ] [ 3.3255977e-10 1.9579032e-10 9.42232e-11 ] [ 4.7580666e-10 2.1532608e-10 2.8202594e-10 ] [ 3.8306268e-10 4.0965643e-10 1.8300283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -1.21e-05 1e-07 ] [ -9.8e-06 1.09e-05 1.2e-05 ] [ 2.59e-05 -3.9e-06 8.6e-06 ] [ -4e-06 -7.1e-06 -1.17e-05 ] [ -1.77e-05 1.04e-05 -7.9e-06 ] [ 6.3e-06 1.8e-06 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 -1.938633711168e-14 1.6021766208e-16 ] [ -1.570133088384e-14 1.746372516672e-14 1.92261194496e-14 ] [ 4.149637447872e-14 -6.24848882112e-15 1.377871893888e-14 ] [ -6.4087064832e-15 -1.137545400768e-14 -1.874546646336e-14 ] [ -2.835852618816e-14 1.666263685632e-14 -1.265719530432e-14 ] [ 1.009371271104e-14 2.88391791744e-15 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }