{ "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" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9787104 6.9247635 0.9680853 ] [ -15.5378168 4.2545274 -18.6789666 ] [ -7.7240149 -8.2424782 10.8018524 ] [ 5.674953 -21.181806 -8.4033236 ] [ 16.6081684 18.2449934 15.3123524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.568066921413816e-09 1.109469418426918e-08 1.551043634600154e-09 ] [ -2.489432681523347e-08 6.81650433283301e-09 -2.992700358722406e-08 ] [ -1.237523609149085e-08 -1.320590586949367e-08 1.730647537661237e-08 ] [ 9.092277020738824e-09 -3.393699435952117e-08 -1.346360860893689e-08 ] [ 2.660921912478934e-08 2.92317018721303e-08 2.453309302473077e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.0919139 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.158145405706549e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.6318892 0.0161199 2.7325212 ] [ 0.7236789 3.442199 0.9820636 ] [ -0.7290007 2.0213337 1.8313429 ] [ 4.1361241 1.2208681 0.8339361 ] [ 2.8554629 3.0037885 0.6590818 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.318892e-11 1.61199e-12 2.7325212e-10 ] [ 7.236789e-11 3.442199e-10 9.820636000000001e-11 ] [ -7.290007e-11 2.0213337e-10 1.8313429e-10 ] [ 4.1361241e-10 1.2208681e-10 8.339361e-11 ] [ 2.8554629e-10 3.0037885e-10 6.590818e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2004489 -0.0615952 0.0558561 ] [ -0.2501016 -0.0570309 0.0775557 ] [ 0.0202822 0.0851994 0.0017001 ] [ 0.0592425 0.2597788 -0.0749971 ] [ 0.3710257 -0.226352 -0.0601148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.211545412450772e-10 -9.868638939350017e-11 8.949133754906689e-11 ] [ -4.007069363446733e-10 -9.137357464318272e-11 1.242579293497786e-10 ] [ 3.249566665838977e-11 1.365044867861875e-10 2.72386047302208e-12 ] [ 9.4916948457744e-11 4.16211519939479e-10 -1.201586002477997e-10 ] [ 5.944487022559545e-10 -3.626558824713216e-10 -9.631452712406785e-11 ] ] } "relaxed-potential-energy" { "source-value" -10.779124 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.727006046550418e-18 } }