{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3388636 -0.2357211 0.9044768 ] [ 0.2660099 0.2480993 -0.688157 ] [ -0.2424515 -0.2787891 0.2611117 ] [ -0.8683709 0.6038917 -0.2526857 ] [ 0.5059489 -0.3374809 -0.2247458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.429193375601228e-10 -3.776668354492589e-10 1.449131583015997e-09 ] [ 4.26194842681346e-10 3.974988980968454e-10 -1.102549056839865e-09 ] [ -3.884501249778912e-10 -4.466693781538733e-10 4.183470611573434e-10 ] [ -1.391283554163055e-09 9.675411632351674e-10 -4.048471209504826e-10 ] [ 8.106194988994772e-10 -5.407040079465426e-10 -3.600824663829926e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5795373992349475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.337227755133469e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2137076 1.8632302 1.6909689 ] [ 1.9542914 1.7843106 3.9957956 ] [ 1.5733781 5.3527293 2.9067554 ] [ 0.5829719 3.2417207 2.7229882 ] [ 3.1222986 3.6037922 3.0211968 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2137076e-10 1.8632302e-10 1.6909689e-10 ] [ 1.9542914e-10 1.7843106e-10 3.9957956e-10 ] [ 1.5733781e-10 5.3527293e-10 2.9067554e-10 ] [ 5.829719e-11 3.2417207e-10 2.7229882e-10 ] [ 3.1222986e-10 3.6037922e-10 3.0211968e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 4.4e-06 6e-07 ] [ -2e-06 -1.4e-06 -1.1e-06 ] [ 1.2e-06 -1.5e-06 -3.5e-06 ] [ 3.1e-06 -1.8e-06 3.6e-06 ] [ -2.3e-06 3e-07 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 7.04957713152e-15 9.6130597248e-16 ] [ -3.2043532416e-15 -2.24304726912e-15 -1.76239428288e-15 ] [ 1.92261194496e-15 -2.4032649312e-15 -5.6076181728e-15 ] [ 4.96674752448e-15 -2.88391791744e-15 5.76783583488e-15 ] [ -3.68500622784e-15 4.8065298624e-16 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -5.057896399234949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.103643361282738e-19 } }