{ "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" [ [ 1.711766 1.445938 2.481154 ] [ 1.786648 3.09956 4.150451 ] [ 2.046679 3.825969 2.202277 ] [ 4.127996 2.712807 1.52252 ] [ 4.061478 2.056421 3.562426 ] [ 4.12269 4.38488 2.772359 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.711766e-10 1.445938e-10 2.481154e-10 ] [ 1.786648e-10 3.09956e-10 4.150451000000001e-10 ] [ 2.046679e-10 3.825969e-10 2.202277e-10 ] [ 4.127996e-10 2.712807e-10 1.52252e-10 ] [ 4.061478e-10 2.056421e-10 3.562426e-10 ] [ 4.122690000000001e-10 4.38488e-10 2.772359e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1237323 -3.754415 -1.0746107 ] [ -1.300382 -0.6109996 7.3675263 ] [ -3.8783227 3.9902629 -6.2045898 ] [ 2.4792703 -4.4039098 -10.1461781 ] [ 0.2555381 -3.7470449 5.8413217 ] [ 3.5676286 8.5261065 4.2165306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.800417619097812e-09 -6.015235937780831e-09 -1.721716140001523e-09 ] [ -2.083441638509146e-09 -9.789292744381517e-10 1.180407839098913e-08 ] [ -6.213757957857932e-09 6.393105929225607e-09 -9.94084871921415e-09 ] [ 3.972228911303802e-09 -7.055841321672004e-09 -1.625596934229297e-08 ] [ 4.094171695436525e-10 -6.003427735867875e-09 9.358829062311712e-09 ] [ 5.715971134617435e-09 1.366032850075091e-08 6.755626748207796e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3378685 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.335873797800477e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6261506 1.2883006 2.6139844 ] [ 1.6712591 3.0767504 4.4519062 ] [ 2.0454024 3.7735888 1.9749742 ] [ 4.2811874 2.7651356 1.111822 ] [ 3.9070132 2.0682474 3.5887368 ] [ 4.3262443 4.5535522 2.9497635 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6261506e-10 1.2883006e-10 2.6139844e-10 ] [ 1.6712591e-10 3.0767504e-10 4.4519062e-10 ] [ 2.0454024e-10 3.773588800000001e-10 1.9749742e-10 ] [ 4.2811874e-10 2.7651356e-10 1.111822e-10 ] [ 3.9070132e-10 2.0682474e-10 3.5887368e-10 ] [ 4.3262443e-10 4.553552200000001e-10 2.9497635e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.01e-05 1.91e-05 9.9e-06 ] [ -2.85e-05 -6.9e-06 7.8e-06 ] [ 1.19e-05 1.33e-05 1.36e-05 ] [ 1.2e-06 -4.27e-05 -2.88e-05 ] [ -2e-06 2.4e-06 -2.13e-05 ] [ -1.27e-05 1.48e-05 1.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.822551628608e-14 3.060157345728e-14 1.586154854592e-14 ] [ -4.56620336928e-14 -1.105501868352e-14 1.249697764224e-14 ] [ 1.906590178752e-14 2.130894905664e-14 2.178960204288e-14 ] [ 1.92261194496e-15 -6.841294170816001e-14 -4.614268667904e-14 ] [ -3.2043532416e-15 3.84522388992e-15 -3.412636202304e-14 ] [ -2.034764308416e-14 2.371221398784e-14 3.028113813312e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.836752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.056674394140764e-18 } }