{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1662438 0.3470313 -0.2569513 ] [ -1.0373156 1.3623996 0.2495277 ] [ 0.5143527 -1.2876884 -0.0390575 ] [ 1.3023239 0.320808 4.2428837 ] [ -0.1387387 -0.1665714 1.2916989 ] [ 2.3486472 -0.8735962 -6.5262355 ] [ -0.8230257 0.2976171 1.0381341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.470705171312952e-09 5.56005435545831e-10 -4.11681365544167e-10 ] [ -1.661962802711124e-09 2.182804787307272e-09 3.997874471819962e-10 ] [ 8.240838707853562e-10 -2.063104249355358e-09 -6.2577013366896e-11 ] [ 2.086552905289077e-09 5.139910773656064e-10 6.797849068913402e-09 ] [ -2.22283901540185e-10 -2.668768027739251e-10 2.069529778693077e-09 ] [ 3.762947634347381e-09 -1.399655407659721e-09 -1.0456181939935e-08 ] [ -1.318632534857555e-09 4.768351595702957e-10 1.663274184275249e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.294098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.251472935582404e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0780132 2.7742555 1.3065604 ] [ 2.3683392 2.8160315 3.7294388 ] [ 3.5801823 1.0942814 2.3847196 ] [ 4.8674233 2.9643071 3.4274356 ] [ 3.2080592 4.9033936 1.1757261 ] [ 4.5771073 2.9225437 1.0045545 ] [ 3.4886427 4.9437682 3.5172239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0780132e-10 2.7742555e-10 1.3065604e-10 ] [ 2.3683392e-10 2.8160315e-10 3.7294388e-10 ] [ 3.5801823e-10 1.0942814e-10 2.3847196e-10 ] [ 4.8674233e-10 2.9643071e-10 3.4274356e-10 ] [ 3.2080592e-10 4.9033936e-10 1.1757261e-10 ] [ 4.5771073e-10 2.9225437e-10 1.0045545e-10 ] [ 3.4886427e-10 4.9437682e-10 3.5172239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 1.7e-06 -3.4e-06 ] [ -1.7e-05 2.14e-05 1.11e-05 ] [ -6.1e-06 -1.13e-05 -5.5e-06 ] [ 2.95e-05 2.96e-05 -1.09e-05 ] [ 2.15e-05 -5.1e-06 2.22e-05 ] [ -1.21e-05 -6.4e-06 -6.6e-06 ] [ -2.36e-05 -2.98e-05 -6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233675998016e-14 2.72370025536e-15 -5.44740051072e-15 ] [ -2.72370025536e-14 3.428657968511999e-14 1.778416049088e-14 ] [ -9.77327738688e-15 -1.810459581504e-14 -8.8119714144e-15 ] [ 4.72642103136e-14 4.742442797568e-14 -1.746372516672e-14 ] [ 3.44467973472e-14 -8.17110076608e-15 3.556832098176e-14 ] [ -1.938633711168e-14 -1.025393037312e-14 -1.057436569728e-14 ] [ -3.781136825088e-14 -4.774486329984001e-14 -1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.957559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517988767963663e-18 } }