{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2284669 -0.9310566 5.5096932 ] [ -3.5228835 0.5916535 2.9450924 ] [ 6.3947124 -18.5901678 5.525009 ] [ 67.3591873 9.1060269 22.4107337 ] [ -65.0025493 9.823544 -36.3905283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.37692742980665e-09 -1.491717117161537e-09 8.82750163282074e-09 ] [ -5.644281581502076e-09 9.479334053144929e-10 4.718558189375762e-09 ] [ 1.024545870401986e-08 -2.978473222590897e-08 8.852040249509587e-09 ] [ 1.079213150881483e-07 1.45894634075559e-08 3.590595358911469e-08 ] [ -1.041455647808594e-07 1.573905253020011e-08 -5.830405366082077e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.207551 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.436518267182366e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0653368 0.3824368 3.0273875 ] [ -0.079497 1.9846099 1.955286 ] [ 3.0743261 0.1942741 2.049854 ] [ 3.1711191 1.6801648 0.3736175 ] [ 1.221938 2.7866361 0.3151544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0653368e-10 3.824368000000001e-11 3.0273875e-10 ] [ -7.9497e-12 1.9846099e-10 1.955286e-10 ] [ 3.0743261e-10 1.942741e-11 2.049854e-10 ] [ 3.1711191e-10 1.6801648e-10 3.736175e-11 ] [ 1.221938e-10 2.7866361e-10 3.151544e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.85e-05 -5.7e-06 -4.7e-06 ] [ -1.25e-05 1.02e-05 -4.3e-06 ] [ -5.5e-06 -5.7e-06 1.02e-05 ] [ 1.01e-05 -4.3e-06 -2.4e-06 ] [ -1.06e-05 5.5e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.96402674848e-14 -9.13240673856e-15 -7.53023011776e-15 ] [ -2.002720776e-14 1.634220153216e-14 -6.889359469440001e-15 ] [ -8.8119714144e-15 -9.13240673856e-15 1.634220153216e-14 ] [ 1.618198387008e-14 -6.889359469440001e-15 -3.84522388992e-15 ] [ -1.698307218048e-14 8.8119714144e-15 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.5709627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.373219605568885e-18 } }