{ "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" [ [ -9.6264772 -6.0930464 -8.6872942 ] [ -1.2718434 -3.0644964 0.5339182 ] [ -4.4858275 -3.2256563 7.2167744 ] [ -2.0807826 -7.4319862 -9.28344 ] [ 4.9600059 6.4339767 9.8395731 ] [ 1.5032987 2.4537453 -3.7980555 ] [ 11.0016261 10.9274633 4.178524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.542331683757374e-08 -9.762136571957818e-09 -1.391857977992372e-08 ] [ -2.037717777587116e-09 -4.909864527057116e-09 8.554312645073386e-10 ] [ -7.187088004654634e-09 -5.168071153174894e-09 1.156254731652937e-08 ] [ -3.333781262153768e-09 -1.190735463385045e-08 -1.487371065114096e-08 ] [ 7.946805557482138e-09 1.030836713244043e-08 1.576473410935495e-08 ] [ 2.408550051062575e-09 3.93133338544732e-09 -6.085155776735186e-09 ] [ 1.762654827342455e-08 1.750772636815253e-08 6.694733517408215e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.597626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.697926875307088e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7240977 2.8071484 0.9402717 ] [ 2.2181028 1.0342712 2.6060257 ] [ 2.4714337 2.2606208 4.7821222 ] [ 4.6619352 0.5369193 2.3125508 ] [ 4.8946457 2.2591476 4.12517 ] [ 3.6097062 4.5335041 0.9440475 ] [ 5.2208728 4.4074004 2.9249709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7240977e-10 2.8071484e-10 9.402717e-11 ] [ 2.2181028e-10 1.0342712e-10 2.6060257e-10 ] [ 2.4714337e-10 2.2606208e-10 4.7821222e-10 ] [ 4.661935200000001e-10 5.369193e-11 2.3125508e-10 ] [ 4.8946457e-10 2.2591476e-10 4.12517e-10 ] [ 3.6097062e-10 4.5335041e-10 9.440475000000001e-11 ] [ 5.220872800000001e-10 4.4074004e-10 2.9249709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.06e-05 2.4e-05 -5.66e-05 ] [ 1.17e-05 -7.14e-05 1.04e-05 ] [ 3.9e-05 2.55e-05 -1.3e-05 ] [ -2.15e-05 2.15e-05 2.65e-05 ] [ -1.63e-05 -3.45e-05 2.66e-05 ] [ -3.32e-05 2.21e-05 6e-06 ] [ 4.09e-05 1.27e-05 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.300483866039999e-14 3.8452239216e-14 -9.06831974844e-14 ] [ 1.87454666178e-14 -1.143954116676e-13 1.66626369936e-14 ] [ 6.248488872599999e-14 4.0855504167e-14 -2.082829624199999e-14 ] [ -3.4446797631e-14 3.4446797631e-14 4.2457680801e-14 ] [ -2.61154791342e-14 -5.527509387299999e-14 4.26178984644e-14 ] [ -5.31922642488e-14 3.54081036114e-14 9.613059803999999e-15 ] [ 6.552902433059999e-14 2.03476432518e-14 1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -20.265929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.246959791010298e-18 } }