{ "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" [ [ -4.649092 -3.9742389 -4.2953065 ] [ 0.0 0.0 0.0 ] [ -0.6818245 -0.3315565 2.6630544 ] [ -0.1784361 -2.7515061 -3.3027943 ] [ 0.791483 1.7918946 3.2093411 ] [ 0.3261044 0.3984188 -0.0722302 ] [ 4.3917653 4.8669881 1.7979354 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.448666571716327e-09 -6.367432703513861e-09 -6.88183971016832e-09 ] [ 0.0 0.0 0.0 ] [ -1.092403282388733e-09 -5.31212077150821e-10 4.266683534750889e-09 ] [ -2.858861500820873e-10 -4.408398781728466e-09 -5.291659854368386e-09 ] [ 1.268095568808222e-09 2.870931658710776e-09 5.141931320955858e-09 ] [ 5.224768499245895e-10 6.383372919063192e-10 -1.157255387091468e-10 ] [ 7.036383745672e-09 7.797774611776055e-09 2.880610087321443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1463964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.465414259738172e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4523418 2.9225723 2.627229 ] [ 0.7426845 1.8528097 1.522259 ] [ 3.1479359 2.1600018 4.6822116 ] [ 6.4722328 0.025901 3.5716714 ] [ 4.9786045 0.8435709 5.1106019 ] [ 3.540579 5.2792507 -0.556029 ] [ 3.4664155 4.7549054 1.6772149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4523418e-10 2.9225723e-10 2.627229e-10 ] [ 7.426845e-11 1.8528097e-10 1.522259e-10 ] [ 3.1479359e-10 2.1600018e-10 4.6822116e-10 ] [ 6.4722328e-10 2.5901e-12 3.5716714e-10 ] [ 4.9786045e-10 8.435709000000001e-11 5.1106019e-10 ] [ 3.540579e-10 5.2792507e-10 -5.56029e-11 ] [ 3.4664155e-10 4.7549054e-10 1.6772149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 -1.6e-06 -3e-07 ] [ 1e-07 -1e-06 3e-06 ] [ -0.0 1.9e-06 -2e-06 ] [ 1.9e-06 -1.6e-06 1.8e-06 ] [ 0.0 2e-07 -1.8e-06 ] [ 1.8e-06 3e-06 -1e-07 ] [ 5e-07 -1e-06 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.0495771896e-15 -2.5634826144e-15 -4.806529901999999e-16 ] [ 1.602176634e-16 -1.602176634e-15 4.806529901999999e-15 ] [ 0.0 3.0441356046e-15 -3.204353268e-15 ] [ 3.0441356046e-15 -2.5634826144e-15 2.8839179412e-15 ] [ 0.0 3.204353268e-16 -2.8839179412e-15 ] [ 2.8839179412e-15 4.806529901999999e-15 -1.602176634e-16 ] [ 8.010883169999999e-16 -1.602176634e-15 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -15.90775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.54870253495135e-18 } }