{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3324979 0.243508 0.2720603 ] [ 1.416401 0.7669525 0.2851463 ] [ -0.2253541 -1.507776 0.8797283 ] [ 4.0986699 -9.598605 -20.5272444 ] [ -0.6002105 -2.1723936 30.9862593 ] [ -4.3570084 12.2683142 -11.8959499 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.327203618450964e-10 3.901428245777664e-10 4.358886521078342e-10 ] [ 2.269324567877741e-09 1.228793364764112e-09 4.568547353676231e-10 ] [ -3.610570704214253e-10 -2.415723456603341e-09 1.409480114916129e-09 ] [ 6.566793090156674e-09 -1.537866052329398e-08 -3.288827106712773e-08 ] [ -9.616432306586785e-10 -3.480558237095547e-09 4.964546021650658e-08 ] [ -6.980696995109214e-09 1.965600618786865e-08 -1.90594128119881e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8570928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.38409715001601e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6003851 0.5824704 1.8278885 ] [ 0.3089052 2.7068911 0.7164715 ] [ 0.6906717 2.7404788 3.0738541 ] [ 2.8700516 0.5971499 1.0021904 ] [ 2.521969 1.2319277 3.2781558 ] [ 2.3061628 2.3453999 -0.4450439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.003851e-11 5.824704e-11 1.8278885e-10 ] [ 3.089052e-11 2.7068911e-10 7.164715e-11 ] [ 6.906717000000001e-11 2.7404788e-10 3.0738541e-10 ] [ 2.8700516e-10 5.971499e-11 1.0021904e-10 ] [ 2.521969e-10 1.2319277e-10 3.2781558e-10 ] [ 2.3061628e-10 2.3453999e-10 -4.450439e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.1e-06 -6.9e-06 -4.1e-05 ] [ 2.05e-05 2.01e-05 -7.7e-06 ] [ -2.34e-05 1.35e-05 1.14e-05 ] [ 1.08e-05 1.3e-05 -2.55e-05 ] [ 3.29e-05 -1e-07 4.03e-05 ] [ -3.27e-05 -3.97e-05 2.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.297763062848e-14 -1.105501868352e-14 -6.56892414528e-14 ] [ 3.28446207264e-14 3.220375007808e-14 -1.233675998016e-14 ] [ -3.749093292672001e-14 2.16293843808e-14 1.826481347712e-14 ] [ 1.730350750464e-14 2.08282960704e-14 -4.08555038304e-14 ] [ 5.271161082432e-14 -1.6021766208e-16 6.456771781824e-14 ] [ -5.239117550016001e-14 -6.360641184576e-14 3.604897396800001e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.860721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.86160296168316e-18 } }