{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.2016894 -46.8435459 -66.7810414 ] [ 40.1277382 -1.9037287 86.1030684 ] [ -24.5577787 41.2584917 -39.2213655 ] [ -23.1103713 -9.4018393 -12.5702265 ] [ 18.4123115 3.0230901 33.429808 ] [ -12.0725509 -14.8965774 -54.1632001 ] [ 25.4023405 28.7641095 53.2029571 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.877538094054318e-08 -7.505163407635171e-08 -1.069950232437569e-07 ] [ 6.429172398962309e-08 -3.050109615485977e-09 1.379523231696233e-07 ] [ -3.934589889192022e-08 6.610339081121084e-08 -6.28395548399517e-08 ] [ -3.702689659486731e-08 -1.506340711897864e-08 -2.013972301646061e-08 ] [ 2.949977502018698e-08 4.843524280791934e-09 5.356045681543281e-08 ] [ -1.9342358805398e-08 -2.386694804021765e-08 -8.677901290793222e-08 ] [ 4.069903606270099e-08 4.608518375903117e-08 8.524053402304538e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 37.560221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.01781079582812e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2398957 1.7578358 2.372941 ] [ 2.4264391 2.6726614 4.795162 ] [ 1.7330557 4.5844096 2.5627958 ] [ 3.7556503 1.1351643 1.5605583 ] [ 4.9704403 2.5041911 3.7270796 ] [ 4.2441377 3.8338069 0.9775678 ] [ 4.3479701 5.2696428 3.5670705 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2398957e-10 1.7578358e-10 2.372941e-10 ] [ 2.4264391e-10 2.6726614e-10 4.795162e-10 ] [ 1.7330557e-10 4.5844096e-10 2.5627958e-10 ] [ 3.7556503e-10 1.1351643e-10 1.5605583e-10 ] [ 4.9704403e-10 2.5041911e-10 3.7270796e-10 ] [ 4.2441377e-10 3.8338069e-10 9.775678e-11 ] [ 4.347970100000001e-10 5.269642799999999e-10 3.5670705e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 -2.76e-05 -4.27e-05 ] [ 5.6e-06 -1.82e-05 1.72e-05 ] [ -2.27e-05 3.19e-05 -1.71e-05 ] [ -5.3e-05 -1.3e-05 2.79e-05 ] [ 3.64e-05 3.69e-05 -4.08e-05 ] [ 1.25e-05 -1.91e-05 3.81e-05 ] [ 1.22e-05 9.2e-06 1.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 -4.422007473408001e-14 -6.841294170816001e-14 ] [ 8.972189076479999e-15 -2.915961449856e-14 2.755743787776e-14 ] [ -3.636940929216e-14 5.110943420352001e-14 -2.739722021568e-14 ] [ -8.49153609024e-14 -2.08282960704e-14 4.470072772032e-14 ] [ 5.831922899712e-14 5.912031730752001e-14 -6.536880612864e-14 ] [ 2.002720776e-14 -3.060157345728e-14 6.104292925248e-14 ] [ 1.954655477376e-14 1.474002491136e-14 2.8038090864e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.983946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.041563445172968e-18 } }