{ "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" [ [ -1.79411 -0.7607304 1.1789934 ] [ -4.1461901 -1.513058 -1.3187817 ] [ -0.2896719 -1.3263282 -1.8565901 ] [ 0.1552988 -1.4044406 2.2700095 ] [ 1.0704359 -0.8319699 -1.6493644 ] [ 2.3748604 2.5176794 -0.3026942 ] [ 2.6293769 3.3188476 1.6784276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.874481097143488e-09 -1.218824461611832e-09 1.888955661557503e-09 ] [ -6.642928843612415e-09 -2.424186153514406e-09 -2.112921207678879e-09 ] [ -4.641055458827155e-10 -2.125012033547747e-09 -2.974585252628734e-09 ] [ 2.48816106598295e-10 -2.250161894622325e-09 3.636956149893898e-09 ] [ 1.715027373045007e-09 -1.332962722989314e-09 -2.642573080859819e-09 ] [ 3.804945810543736e-09 4.033767073349772e-09 -4.849695704917595e-10 ] [ 4.212726196451579e-09 5.31738003271819e-09 2.689137460425454e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.279831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.287881137717509e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2615724 2.2442601 1.312799 ] [ 2.6681962 1.4749621 3.7536156 ] [ 1.5007068 4.4720294 2.2394346 ] [ 1.8784477 3.7573838 4.5068483 ] [ 4.7274228 1.8325713 2.1477668 ] [ 3.9629763 4.3114241 1.680899 ] [ 4.3696028 3.5421222 4.1217127 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2615724e-10 2.2442601e-10 1.312799e-10 ] [ 2.6681962e-10 1.4749621e-10 3.7536156e-10 ] [ 1.5007068e-10 4.4720294e-10 2.2394346e-10 ] [ 1.8784477e-10 3.7573838e-10 4.5068483e-10 ] [ 4.727422800000001e-10 1.8325713e-10 2.1477668e-10 ] [ 3.9629763e-10 4.3114241e-10 1.680899e-10 ] [ 4.3696028e-10 3.5421222e-10 4.1217127e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 1.68e-05 1.36e-05 ] [ -8.7e-06 -1.78e-05 2.3e-06 ] [ 7.6e-06 2e-06 -8.6e-06 ] [ -7.6e-06 4.8e-06 8.2e-06 ] [ 5.4e-06 -7.4e-06 -1.23e-05 ] [ -1.81e-05 -6.3e-06 -6.3e-06 ] [ 3.6e-06 8e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 2.691656722944e-14 2.178960204288e-14 ] [ -1.393893660096e-14 -2.851874385024e-14 3.68500622784e-15 ] [ 1.217654231808e-14 3.2043532416e-15 -1.377871893888e-14 ] [ -1.217654231808e-14 7.69044777984e-15 1.313784829056e-14 ] [ 8.65175375232e-15 -1.185610699392e-14 -1.970677243584e-14 ] [ -2.899939683648e-14 -1.009371271104e-14 -1.009371271104e-14 ] [ 5.76783583488e-15 1.28174129664e-14 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.023701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727497574168958e-18 } }