{ "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" [ [ -10.684265 0.1064131 9.0794977 ] [ -1.2877872 -1.3484166 2.111298 ] [ 10.2366976 -32.5426173 8.4023904 ] [ 141.2033557 16.1492894 51.1823041 ] [ -139.4680012 17.6353314 -70.7754903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.711807959343171e-08 1.704925809668525e-10 1.454695894354737e-08 ] [ -2.063262544405494e-09 -2.160401551618626e-09 3.382672295141799e-09 ] [ 1.640099756891947e-08 -5.213902061770162e-08 1.346211345771436e-08 ] [ 2.262327152810464e-07 2.587401391921326e-08 8.2003091027696e-08 ] [ -2.234523708723463e-07 2.825491566914013e-08 -1.133948358843172e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 38.144345 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.111397777472938e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0425424 0.3415222 3.068896 ] [ -0.1386286 1.9991039 1.9666416 ] [ 3.1193827 0.1545218 2.0641792 ] [ 3.2216699 1.6963404 0.3408016 ] [ 1.2082567 2.8366335 0.2807811 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0425424e-10 3.415222e-11 3.068896e-10 ] [ -1.386286e-11 1.9991039e-10 1.9666416e-10 ] [ 3.1193827e-10 1.545218e-11 2.0641792e-10 ] [ 3.2216699e-10 1.6963404e-10 3.408016e-11 ] [ 1.2082567e-10 2.8366335e-10 2.807811e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.45e-05 2.17e-05 -3.7e-06 ] [ -3.2e-06 -2.14e-05 4.86e-05 ] [ 6e-06 -1.34e-05 -2.15e-05 ] [ -5.4e-06 2.69e-05 2.12e-05 ] [ 2.71e-05 -1.39e-05 -4.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.92533272096e-14 3.476723267136e-14 -5.928053496960001e-15 ] [ -5.126965186560001e-15 -3.428657968511999e-14 7.786578377088e-14 ] [ 9.6130597248e-15 -2.146916671872e-14 -3.44467973472e-14 ] [ -8.65175375232e-15 4.309855109952001e-14 3.396614436096001e-14 ] [ 4.341898642368e-14 -2.227025502912e-14 -7.129685962560001e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.063417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.092990130516128e-18 } }