{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4256607 -7.0483181 -4.2323717 ] [ -5.6770862 -0.49983 -0.1884822 ] [ 1.3955413 0.953831 5.8764457 ] [ -3.3476161 5.7290299 5.8717797 ] [ 1.7244948 -1.4947102 -0.4419047 ] [ 5.4790056 2.3599974 -6.8854669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.819836219333627e-10 -1.129265047578148e-08 -6.781006988275551e-09 ] [ -9.095694783906314e-09 -8.008159403744641e-10 -3.019817742769498e-10 ] [ 2.235903644220839e-09 1.528205728394285e-09 9.41510391394069e-09 ] [ -5.363472250833675e-09 9.178917765644161e-09 9.407628157828037e-09 ] [ 2.762945251251172e-09 -2.394789737311293e-09 -7.080093789616377e-10 ] [ 8.778334677552277e-09 3.781132659428786e-09 -1.103173409047225e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.54841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.690041588861293e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2208271 0.2171589 2.8442628 ] [ 0.4525327 1.8724997 2.5940837 ] [ 3.0331303 1.5889594 4.8153114 ] [ 1.855291 3.4982849 3.7289931 ] [ 4.5037538 1.2385872 2.7546941 ] [ 3.4654715 3.2668551 1.9061488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2208271e-10 2.171589e-11 2.8442628e-10 ] [ 4.525327e-11 1.8724997e-10 2.5940837e-10 ] [ 3.0331303e-10 1.5889594e-10 4.8153114e-10 ] [ 1.855291e-10 3.4982849e-10 3.7289931e-10 ] [ 4.5037538e-10 1.2385872e-10 2.7546941e-10 ] [ 3.4654715e-10 3.2668551e-10 1.9061488e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.73e-05 1.07e-05 -5.05e-05 ] [ -4.82e-05 -1e-07 1.52e-05 ] [ 1.44e-05 -7.6e-06 1.92e-05 ] [ -4.3e-06 3.68e-05 -1.7e-06 ] [ 1.23e-05 -2.65e-05 3.34e-05 ] [ -1.14e-05 -1.33e-05 -1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.976118795584e-14 1.714328984256e-14 -8.090991935040001e-14 ] [ -7.722491312256001e-14 -1.6021766208e-16 2.435308463616e-14 ] [ 2.307134333952e-14 -1.217654231808e-14 3.076179111936e-14 ] [ -6.889359469440001e-15 5.896009964544001e-14 -2.72370025536e-15 ] [ 1.970677243584e-14 -4.24576804512e-14 5.351269913472e-14 ] [ -1.826481347712e-14 -2.130894905664e-14 -2.499395528448e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.755774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.36413561246085e-18 } }