{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7659539 -4.1131805 6.2921588 ] [ -9.0429798 13.1246987 -9.0101654 ] [ -46.5811762 17.413209 10.5662623 ] [ 2.8327596 -31.0085806 -15.3478063 ] [ 15.0337028 -44.3345446 15.7592044 ] [ 19.5439136 25.1937441 7.067721 ] [ 26.9797337 23.7246539 -15.3273748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.404460651330117e-08 -6.590041688524436e-09 1.008114980677748e-08 ] [ -1.448845093729399e-08 2.102808558543017e-08 -1.443587647235526e-08 ] [ -7.46312720918769e-08 2.78990365827585e-08 1.69290185657751e-08 ] [ 4.538581240859187e-09 -4.968122329082569e-08 -2.458989663701799e-08 ] [ 2.408664734866037e-08 -7.103177143715087e-08 2.524902906010999e-08 ] [ 3.131280170683482e-08 4.036482811999536e-08 1.132373744183111e-08 ] [ 4.322629892568236e-08 3.801108612831696e-08 -2.455716176512042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.246438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.801878017932969e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2236416 1.4288609 2.9124935 ] [ 1.7930988 3.7098058 1.170912 ] [ 1.952702 4.0100744 4.0812633 ] [ 3.6724062 1.2322984 1.3234499 ] [ 3.8320101 1.5325693 4.2337973 ] [ 4.5977691 3.877777 1.117662 ] [ 4.7446102 4.1540561 3.7953741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2236416e-10 1.4288609e-10 2.9124935e-10 ] [ 1.7930988e-10 3.7098058e-10 1.170912e-10 ] [ 1.952702e-10 4.0100744e-10 4.0812633e-10 ] [ 3.6724062e-10 1.2322984e-10 1.3234499e-10 ] [ 3.8320101e-10 1.5325693e-10 4.2337973e-10 ] [ 4.5977691e-10 3.877777e-10 1.117662e-10 ] [ 4.7446102e-10 4.1540561e-10 3.7953741e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -6.3e-06 5.42e-05 ] [ 2.11e-05 7.8e-06 -3.26e-05 ] [ 3.1e-06 -4.42e-05 -3.34e-05 ] [ -1.14e-05 1.3e-05 -6.5e-06 ] [ -1.33e-05 3.11e-05 -7.8e-06 ] [ -1.61e-05 1.38e-05 -2.19e-05 ] [ 2.23e-05 -1.52e-05 4.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.1324068138e-15 -1.00937127942e-14 8.68379735628e-14 ] [ 3.38059269774e-14 1.24969777452e-14 -5.22309582684e-14 ] [ 4.9667475654e-15 -7.08162072228e-14 -5.351269957559999e-14 ] [ -1.82648136276e-14 2.082829624199999e-14 -1.0414148121e-14 ] [ -2.13089492322e-14 4.982769331739999e-14 -1.24969777452e-14 ] [ -2.579504380739999e-14 2.21100375492e-14 -3.50876682846e-14 ] [ 3.572853893819999e-14 -2.43530848368e-14 7.690447843199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.305738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093120232572589e-18 } }