{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7477718 5.0470232 1.5440664 ] [ 3.8883138 -5.5466202 1.5803592 ] [ -0.4412361 3.8868382 -3.2577825 ] [ 3.6225561 -5.6640893 -3.728096 ] [ 2.9694049 1.435005 2.1966977 ] [ -2.3473654 1.3538774 -3.6002279 ] [ 1.0560985 -0.5120343 5.2649832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.401547546205353e-08 8.086222575675203e-09 2.473867087042821e-09 ] [ 6.229765464694007e-09 -8.886665208897019e-09 2.532014562706191e-09 ] [ -7.069381636729709e-10 6.227401292872355e-09 -5.219542957151376e-09 ] [ 5.803974690956427e-09 -9.074871454583436e-09 -5.973068251297996e-09 ] [ 4.757511108468961e-09 2.299131461731105e-09 3.519497697905133e-09 ] [ -3.760893964354841e-09 2.16915071770949e-09 -5.768200970931881e-09 ] [ 1.692056325961949e-09 -8.203693845076935e-10 8.435432991944771e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.870317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.02335807244848e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5677719 2.4092921 3.6053716 ] [ 1.5356086 4.514741 3.1098696 ] [ 2.9097561 3.6429429 1.3504581 ] [ 4.6973653 2.1677853 2.3053693 ] [ 4.6182349 2.796051 4.861546 ] [ 5.1284979 4.636733 1.497035 ] [ 6.3166843 3.8911027 3.4937654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5677719e-10 2.4092921e-10 3.6053716e-10 ] [ 1.5356086e-10 4.514741e-10 3.1098696e-10 ] [ 2.9097561e-10 3.6429429e-10 1.3504581e-10 ] [ 4.6973653e-10 2.1677853e-10 2.3053693e-10 ] [ 4.6182349e-10 2.796051e-10 4.861545999999999e-10 ] [ 5.1284979e-10 4.636733000000001e-10 1.497035e-10 ] [ 6.316684300000001e-10 3.8911027e-10 3.4937654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001276 2.07e-05 1.69e-05 ] [ -6.97e-05 -8e-06 -6.99e-05 ] [ -4.73e-05 7.7e-06 6.17e-05 ] [ -7.3e-05 -3.93e-05 6.26e-05 ] [ -3.04e-05 -2.37e-05 -7.88e-05 ] [ 3.42e-05 6.3e-05 -2.25e-05 ] [ 5.86e-05 -2.03e-05 2.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.0443773681408e-13 3.316505605055999e-14 2.707678489152e-14 ] [ -1.1167171046976e-13 -1.28174129664e-14 -1.1199214579392e-13 ] [ -7.578295416384e-14 1.233675998016e-14 9.885429750336e-14 ] [ -1.169588933184e-13 -6.296554119743999e-14 1.0029625646208e-13 ] [ -4.870616927232e-14 -3.797158591296e-14 -1.2625151771904e-13 ] [ 5.479444043136e-14 1.009371271104e-13 -3.604897396800001e-14 ] [ 9.388754997888e-14 -3.252418540224e-14 4.774486329984001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.518896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.768142531822664e-18 } }