{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2372378 -0.6961897 0.3559683 ] [ -3.7236657 1.1023586 -0.604374 ] [ -1.5918894 0.0388902 -0.6887205 ] [ 1.6263007 1.1638975 -1.5005456 ] [ 1.4520165 -1.6089566 2.4376718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.584450127861565e-09 -1.11541887017147e-09 5.703240927047022e-10 ] [ -5.965970177367254e-09 1.766173191208952e-09 -9.68313900997116e-10 ] [ -2.550488000592279e-09 6.23089697315868e-11 -1.103451892456797e-09 ] [ 2.605620981397844e-09 1.864769378871015e-09 -2.40413909857151e-09 ] [ 2.326386908482461e-09 -2.577832669640084e-09 3.905580799320721e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.641923432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.705024106467246e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2634606 2.0999784 1.6550704 ] [ 2.8551588 4.0386311 2.9786124 ] [ 5.4804931 2.346607 2.4922016 ] [ 4.9752088 4.6365092 2.0704397 ] [ 4.2648087 2.8413693 4.4807109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2634606e-10 2.0999784e-10 1.6550704e-10 ] [ 2.8551588e-10 4.0386311e-10 2.9786124e-10 ] [ 5.4804931e-10 2.346607e-10 2.4922016e-10 ] [ 4.9752088e-10 4.6365092e-10 2.0704397e-10 ] [ 4.2648087e-10 2.8413693e-10 4.4807109e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -1e-07 -4e-07 ] [ -1e-07 -3e-07 1e-07 ] [ 1.6e-06 -1.4e-06 -3e-07 ] [ 0.0 1.5e-06 -4e-07 ] [ -6e-07 3e-07 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-15 -1.602176634e-16 -6.408706536e-16 ] [ -1.602176634e-16 -4.806529901999999e-16 1.602176634e-16 ] [ 2.5634826144e-15 -2.2430472876e-15 -4.806529901999999e-16 ] [ 0.0 2.403264951e-15 -6.408706536e-16 ] [ -9.613059803999998e-16 4.806529901999999e-16 1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }