{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3088827 -4.5070833 -3.0213282 ] [ -4.1912736 -4.9378397 1.4426539 ] [ -1.7177309 1.5902205 -2.008754 ] [ -0.2068843 -0.0513967 5.8255197 ] [ 1.7022031 -1.7730322 -3.1699716 ] [ 3.5360224 4.921563 -1.8241808 ] [ 2.1865459 4.7575685 2.756061 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.097061278586832e-09 -7.22114355075161e-09 -4.840701445685278e-09 ] [ -6.715160628621061e-09 -7.911291389777569e-09 2.311386369528973e-09 ] [ -2.75210831147979e-09 2.547814128007797e-09 -3.218378722254036e-09 ] [ -3.314651914014462e-10 -8.234659180470779e-11 9.33351154424669e-09 ] [ 2.727230033142365e-09 -2.840710762169615e-09 -5.078854427963594e-09 ] [ 5.6653324665806e-09 7.88521324135894e-09 -2.922659853951427e-09 ] [ 3.5032327501485e-09 7.622465085354428e-09 4.415696536078673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.494541 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.841628500875499e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.337527 1.8406195 0.7602188 ] [ 2.4813553 1.2939093 3.8096251 ] [ 1.612863 4.6237352 2.4467169 ] [ 2.1157653 3.570955 4.5590035 ] [ 4.4222056 1.9410866 2.4365706 ] [ 3.867741 4.3729612 1.6564811 ] [ 4.5314677 3.9914862 4.09446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.337527e-10 1.8406195e-10 7.602188e-11 ] [ 2.4813553e-10 1.2939093e-10 3.8096251e-10 ] [ 1.612863e-10 4.6237352e-10 2.4467169e-10 ] [ 2.1157653e-10 3.570955e-10 4.559003500000001e-10 ] [ 4.4222056e-10 1.9410866e-10 2.4365706e-10 ] [ 3.867741e-10 4.3729612e-10 1.6564811e-10 ] [ 4.531467700000001e-10 3.9914862e-10 4.09446e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 1.13e-05 -5.6e-06 ] [ -1.17e-05 6.4e-06 6.7e-06 ] [ 2.05e-05 -1.82e-05 6e-06 ] [ -6.6e-06 6.5e-06 1.04e-05 ] [ 2.84e-05 -1.66e-05 -9.3e-06 ] [ -9.1e-06 4.6e-06 -7.1e-06 ] [ -1.55e-05 6e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999999e-15 1.81045959642e-14 -8.972189150399999e-15 ] [ -1.87454666178e-14 1.02539304576e-14 1.07345834478e-14 ] [ 3.2844620997e-14 -2.915961473879999e-14 9.613059803999999e-15 ] [ -1.05743657844e-14 1.0414148121e-14 1.66626369936e-14 ] [ 4.550181640559999e-14 -2.65961321244e-14 -1.49002426962e-14 ] [ -1.45798073694e-14 7.370012516399999e-15 -1.13754541014e-14 ] [ -2.4833737827e-14 9.613059803999999e-15 -1.9226119608e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.665586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.830338911511753e-18 } }