{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.797017 -8.7478803 -9.0057228 ] [ -9.2846106 -6.5911721 3.243598 ] [ 0.7264509 3.0334933 5.2753117 ] [ -4.3933931 12.7771975 -3.4778466 ] [ 1.4770521 -4.5074978 -0.5113532 ] [ 7.9916378 4.534832 -4.3731726 ] [ 7.2798799 -0.4989727 8.8491855 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.083491866180153e-09 -1.401564929821689e-08 -1.442875852356551e-08 ] [ -1.487558603655186e-08 -1.056022184228924e-08 5.196816882873639e-09 ] [ 1.163902648139119e-09 4.860192044613441e-09 8.451981073172704e-09 ] [ -7.038991710804036e-09 2.047132711384421e-08 -5.572124513248769e-09 ] [ 2.366498342323544e-09 -7.221807593467435e-09 -8.192781420112665e-10 ] [ 1.280401524506155e-08 7.265601809655706e-09 -7.00659489844315e-09 ] [ 1.166365337801184e-08 -7.994423943574522e-10 1.417795812122236e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8589575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.419361459116082e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8981045 0.8796082 2.1562503 ] [ 0.8612493 0.8116137 4.3156568 ] [ 2.2017126 2.6990154 4.935023 ] [ 2.4042528 3.2388853 2.557812 ] [ 4.1727448 0.3564595 2.7007991 ] [ 4.7814066 2.8855266 2.5294254 ] [ 4.4080144 1.7663339 4.8540895 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8981045e-10 8.796082e-11 2.1562503e-10 ] [ 8.612493e-11 8.116137e-11 4.3156568e-10 ] [ 2.2017126e-10 2.6990154e-10 4.935023e-10 ] [ 2.4042528e-10 3.2388853e-10 2.557812e-10 ] [ 4.172744800000001e-10 3.564595e-11 2.7007991e-10 ] [ 4.7814066e-10 2.8855266e-10 2.5294254e-10 ] [ 4.4080144e-10 1.7663339e-10 4.8540895e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 -3e-07 -1.32e-05 ] [ 1.16e-05 2.06e-05 4.8e-06 ] [ 6.2e-06 -1.07e-05 1.16e-05 ] [ 3.5e-06 -3.7e-06 -1.92e-05 ] [ 2.4e-06 -1.37e-05 -2.8e-06 ] [ -2.59e-05 8.9e-06 1.1e-05 ] [ -5e-07 -1.2e-06 7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.32587687616e-15 -4.8065298624e-16 -2.114873139456e-14 ] [ 1.858524880128e-14 3.300483838848e-14 7.69044777984e-15 ] [ 9.93349504896e-15 -1.714328984256e-14 1.858524880128e-14 ] [ 5.6076181728e-15 -5.928053496960001e-15 -3.076179111936e-14 ] [ 3.84522388992e-15 -2.194981970496e-14 -4.48609453824e-15 ] [ -4.149637447872e-14 1.425937192512e-14 1.76239428288e-14 ] [ -8.010883104e-16 -1.92261194496e-15 1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }