{ "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" [ [ 0.1240411 -0.1256659 -0.815727 ] [ 0.265083 -1.0592017 0.7633895 ] [ -0.4573159 -0.5501797 0.0208926 ] [ -1.604924 1.0877166 -0.4317316 ] [ 1.6731158 0.6473307 0.4631764 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.987357520756574e-10 -2.013389686705806e-10 -1.306938739122918e-09 ] [ 4.24709788670622e-10 -1.697028214433078e-09 1.223084819540943e-09 ] [ -7.327008493366805e-10 -8.814850598411299e-10 3.34736355435084e-11 ] [ -2.571371732145816e-09 1.742714120933924e-09 -6.917102816794343e-10 ] [ 2.680627040736217e-09 1.037138122010864e-09 7.420904055002376e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.316535432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.652891201408847e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2301547 2.3636772 1.3138644 ] [ 2.0171441 1.7822387 3.6146042 ] [ 1.7615044 4.5560735 2.120477 ] [ 0.208477 3.3235679 3.4417917 ] [ 3.2293673 3.8202258 3.8469677 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2301547e-10 2.3636772e-10 1.3138644e-10 ] [ 2.0171441e-10 1.7822387e-10 3.6146042e-10 ] [ 1.7615044e-10 4.5560735e-10 2.120477e-10 ] [ 2.08477e-11 3.3235679e-10 3.4417917e-10 ] [ 3.2293673e-10 3.8202258e-10 3.8469677e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.67e-05 1.66e-05 1.59e-05 ] [ 2.78e-05 2.76e-05 -1.5e-06 ] [ 2.93e-05 -2.51e-05 8.9e-06 ] [ 2.78e-05 -1.07e-05 -2.55e-05 ] [ -3.82e-05 -8.4e-06 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.482164880779999e-14 2.65961321244e-14 2.54746084806e-14 ] [ 4.454051042519999e-14 4.42200750984e-14 -2.403264951e-15 ] [ 4.69437753762e-14 -4.02146335134e-14 1.42593720426e-14 ] [ 4.454051042519999e-14 -1.71432899838e-14 -4.0855504167e-14 ] [ -6.12031474188e-14 -1.34582837256e-14 3.5247885948e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }