{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8462417 -2.8483888 -0.714665 ] [ -1.9354362 1.9263653 1.7765618 ] [ -1.1136781 -0.0696264 0.1826549 ] [ 1.9303407 -0.3348005 -0.7046618 ] [ 2.1885845 -2.19114 1.026541 ] [ 0.5856669 -0.3051662 -3.7085263 ] [ 1.1907639 3.8227567 2.1420954 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.560181908886047e-09 -4.563621942308567e-09 -1.145019554704032e-09 ] [ -3.100910630689993e-09 3.086377446780378e-09 2.846365781366366e-09 ] [ -1.784309014916965e-09 -1.115537902704691e-10 2.92645410454562e-10 ] [ 3.092746739718707e-09 -5.364095337321504e-10 -1.128992661530845e-09 ] [ 3.506498918545258e-09 -3.510593280899712e-09 1.644699990492653e-09 ] [ 9.383418147564114e-10 -4.88930151098377e-10 -5.941714135481927e-09 ] [ 1.907814081472629e-09 6.124731411746559e-09 3.432015169403224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.66458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.310830695465127e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8738876 1.3530983 2.7034901 ] [ 2.1809898 3.191073 4.2637827 ] [ 1.4745297 3.5415137 1.9648478 ] [ 4.0826958 1.5112758 2.0020032 ] [ 4.443844 2.3112274 4.1527209 ] [ 3.6807549 3.7138709 1.2585852 ] [ 4.0445032 4.4996459 3.414085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8738876e-10 1.3530983e-10 2.7034901e-10 ] [ 2.1809898e-10 3.191073e-10 4.2637827e-10 ] [ 1.4745297e-10 3.5415137e-10 1.9648478e-10 ] [ 4.0826958e-10 1.5112758e-10 2.0020032e-10 ] [ 4.443844e-10 2.3112274e-10 4.152720900000001e-10 ] [ 3.6807549e-10 3.7138709e-10 1.2585852e-10 ] [ 4.044503200000001e-10 4.4996459e-10 3.414085e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 6.2e-06 -2.5e-06 ] [ -1.1e-05 2.33e-05 2.42e-05 ] [ 2.07e-05 -9e-06 1.06e-05 ] [ 9.6e-06 1.6e-06 -1.84e-05 ] [ 6.5e-06 -4.4e-06 1.53e-05 ] [ 1.8e-06 4.1e-06 -3.36e-05 ] [ -2.36e-05 -2.18e-05 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 9.93349504896e-15 -4.005441552e-15 ] [ -1.76239428288e-14 3.733071526464e-14 3.877267422336e-14 ] [ 3.316505605055999e-14 -1.44195895872e-14 1.698307218048e-14 ] [ 1.538089555968e-14 2.56348259328e-15 -2.948004982272e-14 ] [ 1.04141480352e-14 -7.04957713152e-15 2.451330229824e-14 ] [ 2.88391791744e-15 6.568924145279999e-15 -5.383313445888e-14 ] [ -3.781136825088e-14 -3.492745033344e-14 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }