{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6624063 0.1830056 0.308218 ] [ 0.0166798 1.1795501 -0.3628198 ] [ -1.050768 -1.0471076 -0.1154469 ] [ 0.0090591 0.2498202 0.6951293 ] [ 0.3626228 -0.5652682 -0.5250805 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.061291896074394e-09 2.932072962111503e-10 4.938196777782119e-10 ] [ 2.67239858197932e-11 1.889847608852363e-09 -5.813014059125532e-10 ] [ -1.683515937354912e-09 -1.677651330003818e-09 -1.849663256477346e-10 ] [ 1.45142783450694e-11 4.002560871412068e-10 1.113719922068776e-09 ] [ 5.809857771156551e-10 -9.056595019832387e-10 -8.412717080690368e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.217648432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.797265420728212e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9748471 3.0505295 1.058702 ] [ 1.7379812 1.3526921 2.5459339 ] [ 2.8668449 4.2326552 1.8952402 ] [ 2.0953951 3.2597612 3.9287549 ] [ 3.8369758 2.06774 1.6742843 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.748471e-11 3.0505295e-10 1.058702e-10 ] [ 1.7379812e-10 1.3526921e-10 2.5459339e-10 ] [ 2.8668449e-10 4.2326552e-10 1.8952402e-10 ] [ 2.0953951e-10 3.2597612e-10 3.9287549e-10 ] [ 3.8369758e-10 2.06774e-10 1.6742843e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.48e-05 -2.12e-05 6.32e-05 ] [ -1.71e-05 5.28e-05 -3.17e-05 ] [ -3.81e-05 -8e-07 -1.95e-05 ] [ 2.63e-05 -3.69e-05 -5.61e-05 ] [ -2.58e-05 6.1e-06 4.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.779927954319999e-14 -3.39661446408e-14 1.012575632688e-13 ] [ -2.73972204414e-14 8.45949262752e-14 -5.078899929779999e-14 ] [ -6.10429297554e-14 -1.2817413072e-15 -3.1242444363e-14 ] [ 4.21372454742e-14 -5.91203177946e-14 -8.988210916739999e-14 ] [ -4.133615715719999e-14 9.773277467399999e-15 7.06559895594e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }