{ "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" [ [ -4.812941 -2.893697 -5.3192587 ] [ 1.9586966 0.9739321 -0.347897 ] [ -1.0393818 -0.9380396 1.6970951 ] [ -2.1421015 -3.024889 -2.3865575 ] [ 1.5666275 3.2985107 2.5778685 ] [ -0.390176 -0.660314 -0.0926263 ] [ 4.8592763 3.2444967 3.8713759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.711181611020594e-09 -4.636213719275898e-09 -8.522391999341215e-09 ] [ 3.138177925615244e-09 1.560411253722551e-09 -5.57392444438698e-10 ] [ -1.665273233764861e-09 -1.502905128886706e-09 2.719046114895893e-09 ] [ -3.432024970956351e-09 -4.846406476243626e-09 -3.823686662197455e-09 ] [ 2.510013974681835e-09 5.284796770538983e-09 4.130200676224629e-09 ] [ -6.25130870347584e-10 -1.057939661903076e-09 -1.484036935538742e-10 ] [ 7.785418946009974e-09 5.198256801830107e-09 6.202628008410719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.833833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.857295052725812e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0312053 3.3471303 1.9559523 ] [ 2.2850468 0.9869934 2.4074927 ] [ 2.6976066 2.5496965 4.2233534 ] [ 4.56238 0.6306494 2.2896081 ] [ 5.0810272 2.1792952 3.9205067 ] [ 4.0056531 3.8997573 0.7422818 ] [ 4.1378751 4.2454898 3.0959638 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0312053e-10 3.3471303e-10 1.9559523e-10 ] [ 2.2850468e-10 9.869934e-11 2.4074927e-10 ] [ 2.6976066e-10 2.5496965e-10 4.2233534e-10 ] [ 4.56238e-10 6.306494000000001e-11 2.2896081e-10 ] [ 5.081027200000001e-10 2.1792952e-10 3.9205067e-10 ] [ 4.0056531e-10 3.8997573e-10 7.422818000000001e-11 ] [ 4.1378751e-10 4.2454898e-10 3.0959638e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 4.6e-06 1.15e-05 ] [ 6e-07 8.5e-06 -7.7e-06 ] [ 6.3e-06 2.57e-05 -1.3e-05 ] [ 2.26e-05 -2.6e-05 -1.14e-05 ] [ -7.1e-06 3e-07 8.2e-06 ] [ -9.5e-06 -7.8e-06 1.14e-05 ] [ -8.3e-06 -5.4e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012516399999e-15 7.370012516399999e-15 1.8425031291e-14 ] [ 9.613059803999998e-16 1.3618501389e-14 -1.23367600818e-14 ] [ 1.00937127942e-14 4.11759394938e-14 -2.082829624199999e-14 ] [ 3.62091919284e-14 -4.165659248399999e-14 -1.82648136276e-14 ] [ -1.13754541014e-14 4.806529901999999e-16 1.31378483988e-14 ] [ -1.5220678023e-14 -1.24969777452e-14 1.82648136276e-14 ] [ -1.32980660622e-14 -8.6517538236e-15 1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.338845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.418859885554773e-18 } }