{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8395448 -1.9027405 -3.9020442 ] [ 0.2909056 -0.4210259 1.911349 ] [ -6.9570839 -1.3257974 -1.6651994 ] [ -9.0282996 -6.8266626 11.9145044 ] [ 2.7463785 8.2813325 -3.7693187 ] [ 8.5880557 2.1765089 -7.7780963 ] [ 6.1995885 0.018385 3.2888052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.947275695756203e-09 -3.048526369665477e-09 -6.251764042075222e-09 ] [ 4.660821550197503e-10 -6.745578592888205e-10 3.062318707219265e-09 ] [ -1.114647726535759e-08 -2.124161615697951e-09 -2.667943569630819e-09 ] [ -1.446493066387155e-08 -1.093751930592169e-08 1.908914055537019e-08 ] [ 4.400183460819969e-09 1.32681574298848e-08 -6.039114347239254e-09 ] [ 1.375958217403051e-08 3.487151703273042e-09 -1.246188414886185e-08 ] [ 9.932835835115108e-09 2.945601741609e-11 5.269246845217696e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.663177 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.669735283760622e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9096155 1.2035053 2.6041725 ] [ 2.4644245 3.0147645 0.8662413 ] [ 0.760838 2.5743377 2.6570402 ] [ 1.9876278 2.1157139 4.7989508 ] [ 2.8529437 3.9188207 3.2180435 ] [ 4.7440925 2.8283105 1.9013763 ] [ 4.449411 2.2726804 4.331929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9096155e-10 1.2035053e-10 2.6041725e-10 ] [ 2.4644245e-10 3.0147645e-10 8.662413e-11 ] [ 7.608380000000001e-11 2.5743377e-10 2.6570402e-10 ] [ 1.9876278e-10 2.1157139e-10 4.798950800000001e-10 ] [ 2.8529437e-10 3.9188207e-10 3.2180435e-10 ] [ 4.7440925e-10 2.8283105e-10 1.9013763e-10 ] [ 4.449411e-10 2.2726804e-10 4.331929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 1.3e-05 -9e-07 ] [ 2.53e-05 -2.74e-05 5.46e-05 ] [ 3.3e-05 3.27e-05 -4.3e-06 ] [ -3.2e-06 -1.3e-06 -4.5e-06 ] [ -5.1e-06 -3.78e-05 -3.83e-05 ] [ -5.56e-05 2.7e-05 2.82e-05 ] [ 1.4e-06 -6.3e-06 -3.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.0495771896e-15 2.082829624199999e-14 -1.4419589706e-15 ] [ 4.053506884019999e-14 -4.389963977159999e-14 8.74788442164e-14 ] [ 5.287182892199999e-14 5.23911759318e-14 -6.8893595262e-15 ] [ -5.1269652288e-15 -2.0828296242e-15 -7.209794853e-15 ] [ -8.1711008334e-15 -6.056227676519999e-14 -6.13633650822e-14 ] [ -8.908102085039999e-14 4.325876911799999e-14 4.51813810788e-14 ] [ 2.2430472876e-15 -1.00937127942e-14 -5.59159645266e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.11232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.542784242753088e-18 } }