{ "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" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.1725735 -23.9653765 -23.0427016 ] [ -8.8558562 9.2705988 -10.481057 ] [ 34.3912064 -24.5352209 1.5061589 ] [ -22.2476899 17.8356906 29.0260788 ] [ 14.8849132 21.3943082 2.9915209 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.911567240146963e-08 -3.839676593696973e-08 -3.691847778359076e-08 ] [ -1.418864576080673e-08 1.485313665817654e-08 -1.679250448667218e-08 ] [ 5.510078685518734e-08 -3.930975731214354e-08 2.413132576789845e-09 ] [ -3.564472862458829e-08 2.857592649514232e-08 4.650490484685853e-08 ] [ 2.384825993167731e-08 3.427746041622973e-08 4.792944846614574e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 25.819309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.136709324501103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2244159 -0.067303 0.6442363 ] [ 0.3592472 2.1265186 1.2622804 ] [ 2.6236156 -0.0776085 2.6406018 ] [ 1.7591197 2.1166277 3.2582082 ] [ 3.4618822 3.7223403 3.0286184 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2244159e-10 -6.7303e-12 6.442363e-11 ] [ 3.592472e-11 2.1265186e-10 1.2622804e-10 ] [ 2.6236156e-10 -7.76085e-12 2.6406018e-10 ] [ 1.7591197e-10 2.1166277e-10 3.2582082e-10 ] [ 3.4618822e-10 3.7223403e-10 3.0286184e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.22e-05 4.5e-06 9.3e-06 ] [ 1.67e-05 -1.56e-05 -4.1e-06 ] [ -1.12e-05 -1.5e-06 -1.05e-05 ] [ 1.85e-05 4e-06 -4.4e-06 ] [ -1.18e-05 8.5e-06 9.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954655477376e-14 7.2097947936e-15 1.490024257344e-14 ] [ 2.675634956736e-14 -2.499395528448e-14 -6.568924145279999e-15 ] [ -1.794437815296e-14 -2.4032649312e-15 -1.68228545184e-14 ] [ 2.96402674848e-14 6.4087064832e-15 -7.04957713152e-15 ] [ -1.890568412544e-14 1.36185012768e-14 1.554111322176e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }