{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6356614 -16.6108651 -35.036726 ] [ -12.9075771 14.251062 29.7353037 ] [ 0.9658431 3.895961 9.8655379 ] [ -4.5420468 5.2962051 -10.2783057 ] [ 8.8481194 -6.8323631 5.7141901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2233678179425e-08 -2.661353971448266e-08 -5.613502326657551e-08 ] [ -2.068021826079346e-08 2.283271835797129e-08 4.764120840052773e-08 ] [ 1.547451234180996e-09 6.242017629748589e-09 1.580633417499633e-08 ] [ -7.277161193539453e-09 8.485455990181726e-09 -1.646766109397538e-08 ] [ 1.417625004072692e-08 -1.094665242363661e-08 9.155141785026814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.3709003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.798601030907707e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2888895 1.8397806 -0.2009911 ] [ 0.2014612 3.2591484 1.4906925 ] [ 1.82908 0.3230984 0.258929 ] [ 2.6935621 0.8050484 2.2348936 ] [ 1.6875824 2.6195778 2.9961616 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.888895e-11 1.8397806e-10 -2.009911e-11 ] [ 2.014612e-11 3.2591484e-10 1.4906925e-10 ] [ 1.82908e-10 3.230984e-11 2.58929e-11 ] [ 2.6935621e-10 8.050484000000001e-11 2.2348936e-10 ] [ 1.6875824e-10 2.6195778e-10 2.996161600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-05 4.49e-05 -7.54e-05 ] [ 1.71e-05 -6.38e-05 7.04e-05 ] [ 3.26e-05 -6.31e-05 -3.63e-05 ] [ -2.95e-05 -3.9e-06 3.27e-05 ] [ 1.76e-05 8.58e-05 8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-14 7.193773027392e-14 -1.2080411720832e-13 ] [ 2.739722021568e-14 -1.0221886840704e-13 1.1279323410432e-13 ] [ 5.223095783807999e-14 -1.0109734477248e-13 -5.815901133504e-14 ] [ -4.72642103136e-14 -6.24848882112e-15 5.239117550016001e-14 ] [ 2.819830852608e-14 1.3746675406464e-13 1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.370748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821794660660836e-18 } }