{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.922149 2.490454 3.411092 ] [ 2.441615 3.416271 1.506229 ] [ 2.671317 4.814549 3.971801 ] [ 3.703717 1.527403 2.621349 ] [ 3.855488 2.690161 4.660198 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.922149e-10 2.490454e-10 3.411092e-10 ] [ 2.441615e-10 3.416271e-10 1.506229e-10 ] [ 2.671317e-10 4.814549e-10 3.971801e-10 ] [ 3.703717e-10 1.527403e-10 2.621349e-10 ] [ 3.855488e-10 2.690161e-10 4.660198e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9458029 -0.6116286 1.761696 ] [ -0.4849401 2.4067489 -3.6587457 ] [ 0.1532116 1.6507032 0.4971984 ] [ 4.2006664 -4.2906404 -2.3539197 ] [ 3.0768649 0.844817 3.753771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.112840301906484e-08 -9.79937043532635e-10 2.822548144156877e-09 ] [ -7.769596907084141e-10 3.856036819716117e-09 -5.861956821992531e-09 ] [ 2.454720435553613e-10 2.644718074919747e-09 7.965996523791667e-10 ] [ 6.730209497860101e-09 -6.874363737139961e-09 -3.77139511058055e-09 ] [ 4.92968100814013e-09 1.353546046254394e-09 6.014204136037037e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9216764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.88539486322311e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1358074 3.6139964 2.975301 ] [ 2.3103411 2.3512113 1.542115 ] [ 2.4254099 4.0114059 4.7661579 ] [ 4.3258042 1.9680807 2.4472652 ] [ 4.3969234 2.9941437 4.43983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1358074e-10 3.6139964e-10 2.975301e-10 ] [ 2.3103411e-10 2.3512113e-10 1.542115e-10 ] [ 2.4254099e-10 4.0114059e-10 4.7661579e-10 ] [ 4.3258042e-10 1.9680807e-10 2.4472652e-10 ] [ 4.3969234e-10 2.9941437e-10 4.43983e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 2.5e-06 -1.4e-06 ] [ -1e-06 -2.2e-06 1.1e-06 ] [ -7e-07 -1.8e-06 1.1e-06 ] [ 5e-07 1.1e-06 -4e-07 ] [ 1e-07 5e-07 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 4.005441552e-15 -2.24304726912e-15 ] [ -1.6021766208e-15 -3.52478856576e-15 1.76239428288e-15 ] [ -1.12152363456e-15 -2.88391791744e-15 1.76239428288e-15 ] [ 8.010883104e-16 1.76239428288e-15 -6.408706483200001e-16 ] [ 1.6021766208e-16 8.010883104e-16 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.9680601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.436841622614931e-18 } }