{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.498822 -9.3346085 -0.7689658 ] [ 6.3140189 6.6872212 0.0446364 ] [ 4.5467716 -1.6630955 -8.2610052 ] [ -7.5993863 -4.849054 -8.3517476 ] [ -3.525459 11.5976302 7.5785919 ] [ -1.5856391 -3.451276 5.2771359 ] [ 5.348516 1.0131825 4.4813545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.605730808740698e-09 -1.495569150302096e-08 -1.232019026954769e-09 ] [ 1.011617346486933e-08 1.071410946475812e-08 7.151539651667712e-11 ] [ 7.284731157637408e-09 -2.664572728257687e-09 -1.323558939574723e-08 ] [ -1.217555906228782e-08 -7.769040951796723e-09 -1.338097474754251e-08 ] [ -5.648407987388947e-09 1.858145196312403e-08 1.214224276076425e-08 ] [ -2.540473895046354e-09 -5.529553719128141e-09 8.454903763764367e-09 ] [ 8.569267291174734e-09 1.623297314103696e-09 7.179921409416874e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.104745 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.82331186141457e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6029164 2.7700659 2.066008 ] [ 2.809919 0.8907143 3.2017908 ] [ 2.5885654 2.827421 4.2708478 ] [ 4.0443213 1.2449132 1.3869887 ] [ 4.4830264 2.3267951 3.2583212 ] [ 4.5858813 3.4005295 1.3344421 ] [ 3.6861642 4.3785729 3.1167602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6029164e-10 2.7700659e-10 2.066008e-10 ] [ 2.809919e-10 8.907143e-11 3.2017908e-10 ] [ 2.5885654e-10 2.827421e-10 4.2708478e-10 ] [ 4.0443213e-10 1.2449132e-10 1.3869887e-10 ] [ 4.4830264e-10 2.3267951e-10 3.2583212e-10 ] [ 4.5858813e-10 3.4005295e-10 1.3344421e-10 ] [ 3.6861642e-10 4.3785729e-10 3.1167602e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0002095 -9.23e-05 8.35e-05 ] [ 4.37e-05 0.0001481 -4.85e-05 ] [ 0.0001435 -3.89e-05 -0.0001803 ] [ 6.67e-05 0.0002319 9.67e-05 ] [ -0.0003352 5.08e-05 3.45e-05 ] [ -0.0002407 -0.0001493 3.8e-06 ] [ 0.0001125 -0.0001503 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.356560020576e-13 -1.4788090209984e-13 1.337817478368e-13 ] [ 7.001511832895999e-14 2.3728235754048e-13 -7.77055661088e-14 ] [ 2.299123450848e-13 -6.232467054911999e-14 -2.8887244473024e-13 ] [ 1.0686518060736e-13 3.7154475836352e-13 1.5493047923136e-13 ] [ -5.3704960329216e-13 8.139057233664001e-14 5.52750934176e-14 ] [ -3.8564391262656e-13 -2.3920496948544e-13 6.08827115904e-15 ] [ 1.8024486984e-13 -2.4080714610624e-13 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }