{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6932001 -1.3738024 -5.9032595 ] [ -3.1317077 -4.4536951 0.916479 ] [ -5.1898794 6.4166586 -0.2487716 ] [ -0.0296596 -6.3007961 -1.7485508 ] [ 4.5563859 -0.5595092 4.7310502 ] [ 4.6315258 1.5233165 -0.844801 ] [ 2.8565351 4.7478277 3.0978537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.917158904906463e-09 -2.201074105013121e-09 -9.458064435338522e-09 ] [ -5.017548901457882e-09 -7.135606224180293e-09 1.468361239351686e-09 ] [ -8.315103507957938e-09 1.028062047727515e-08 -3.985760447227943e-10 ] [ -4.75199180937864e-11 -1.009498828701833e-08 -2.801487235122007e-09 ] [ 7.30013502446706e-09 -8.964325667480328e-10 7.579978084721026e-09 ] [ 7.420522416528157e-09 2.440622102486661e-09 -1.353520422579834e-09 ] [ 4.576673791420853e-09 7.606858603197962e-09 4.963308813690445e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.220242 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.560075253422543e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7850037 1.756746 1.1658361 ] [ 1.9563232 0.908373 3.4113454 ] [ 1.8775925 3.3729395 2.8774954 ] [ 3.9329947 -0.1917393 2.2892583 ] [ 5.0642864 2.0596149 2.1214588 ] [ 4.2356169 1.211184 4.3669512 ] [ 4.1147735 3.6701567 3.8155178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7850037e-10 1.756746e-10 1.1658361e-10 ] [ 1.9563232e-10 9.08373e-11 3.4113454e-10 ] [ 1.8775925e-10 3.3729395e-10 2.8774954e-10 ] [ 3.9329947e-10 -1.917393e-11 2.2892583e-10 ] [ 5.0642864e-10 2.0596149e-10 2.1214588e-10 ] [ 4.2356169e-10 1.211184e-10 4.3669512e-10 ] [ 4.1147735e-10 3.6701567e-10 3.8155178e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.15e-05 3.11e-05 -6.81e-05 ] [ -7.75e-05 -3.1e-05 6.23e-05 ] [ 3.11e-05 -2.19e-05 2.25e-05 ] [ 7.83e-05 1.67e-05 4.08e-05 ] [ -7.55e-05 -6.7e-06 -2.06e-05 ] [ -4.85e-05 -1.09e-05 -4.19e-05 ] [ 5.05e-05 2.26e-05 5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.649033031099999e-14 4.982769331739999e-14 -1.091082287754e-13 ] [ -1.24168689135e-13 -4.966747565399999e-14 9.981560429819998e-14 ] [ 4.982769331739999e-14 -3.50876682846e-14 3.6048974265e-14 ] [ 1.254504304422e-13 2.67563497878e-14 6.53688066672e-14 ] [ -1.20964335867e-13 -1.07345834478e-14 -3.300483866039999e-14 ] [ -7.770556674899999e-14 -1.74637253106e-14 -6.713120096459999e-14 ] [ 8.090992001699999e-14 3.62091919284e-14 8.1711008334e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382340082586e-18 } }