{ "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" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3437688 -10.0068582 1.8942157 ] [ -3.357151 5.6598163 -6.1080972 ] [ 0.8315151 6.8337679 9.470554 ] [ 1.9608851 -3.3858521 -3.7173305 ] [ -4.7289596 1.6304955 -6.1944312 ] [ -0.0500584 -0.7313694 4.6550891 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.56166143832047e-09 -1.603275425570077e-08 3.034868109292306e-09 ] [ -5.378748844695341e-09 9.068025353882759e-09 -9.786250531413942e-09 ] [ 1.332234053062174e-09 1.094890316135351e-08 1.517350020482392e-08 ] [ 3.14168426329507e-09 -5.424733076106584e-09 -5.955820018886775e-09 ] [ -7.57662851182772e-09 2.612341770419607e-09 -9.92457284779409e-09 ] [ -8.020239815465472e-11 -1.171782953848524e-09 7.458274923760913e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.783567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.36858854194304e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6141227 1.4249733 3.1995611 ] [ 0.8411542 3.0069464 2.8315338 ] [ 2.4969387 3.8417304 4.3432718 ] [ 4.6039549 2.0023198 1.9731601 ] [ 4.4377647 2.4417413 4.6078871 ] [ 6.2680718 3.1737528 3.2310571 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6141227e-10 1.4249733e-10 3.1995611e-10 ] [ 8.411542e-11 3.0069464e-10 2.8315338e-10 ] [ 2.4969387e-10 3.8417304e-10 4.3432718e-10 ] [ 4.6039549e-10 2.0023198e-10 1.9731601e-10 ] [ 4.4377647e-10 2.4417413e-10 4.6078871e-10 ] [ 6.268071800000001e-10 3.1737528e-10 3.2310571e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.44e-05 -3.26e-05 -3.68e-05 ] [ 3.9e-06 2e-06 -1.33e-05 ] [ 9.6e-06 3.12e-05 3.2e-05 ] [ -3.65e-05 -4.29e-05 -0.0001106 ] [ 2.59e-05 4.11e-05 9.84e-05 ] [ -2.74e-05 1.2e-06 3.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.909310954752e-14 -5.223095783807999e-14 -5.896009964544001e-14 ] [ 6.24848882112e-15 3.2043532416e-15 -2.130894905664e-14 ] [ 1.538089555968e-14 4.998791056896e-14 5.12696518656e-14 ] [ -5.84794466592e-14 -6.873337703232e-14 -1.7720073426048e-13 ] [ 4.149637447872e-14 6.584945911488e-14 1.5765417948672e-13 ] [ -4.389963940992e-14 1.92261194496e-15 4.854595161024e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.144426 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.227492837663566e-18 } }