{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7988983 0.4673865 0.2218489 ] [ 0.3258309 0.1815657 2.151485 ] [ 0.290514 2.993692 1.621534 ] [ 2.152844 0.6900228 1.637351 ] [ 2.682916 2.279137 0.4360972 ] [ 1.831466 2.039249 2.911237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.988983e-11 4.673865e-11 2.218489e-11 ] [ 3.258309e-11 1.815657e-11 2.151485e-10 ] [ 2.90514e-11 2.993692e-10 1.621534e-10 ] [ 2.152844e-10 6.900228e-11 1.637351e-10 ] [ 2.682916e-10 2.279137e-10 4.360972e-11 ] [ 1.831466e-10 2.039249e-10 2.911237e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1914084 -0.2183677 -15.9982722 ] [ -12.5230623 -4.5129532 10.8548736 ] [ 1.1364123 1.805603 -2.362325 ] [ 19.89721 -12.9264487 -0.8496785 ] [ -1.8597913 6.028551 -2.6731061 ] [ -1.4593601 9.8236155 11.0285082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.317553236031324e-09 -3.498636265603218e-10 -2.563205790321177e-08 ] [ -2.00641578031863e-08 -7.230548167375528e-09 1.739142484694346e-08 ] [ 1.820733233650198e-09 2.892894936880302e-09 -3.78486191691405e-09 ] [ 3.187884494379114e-08 -2.071045406773967e-08 -1.361335039112169e-09 ] [ -2.979714164976484e-09 9.658803549077333e-09 -4.282788133622867e-09 ] [ -2.338152652811904e-09 1.573916721550023e-08 1.76696181459174e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.338906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.01560470783224e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8790376 0.2789808 -0.0088069 ] [ 0.3156841 -0.001068 2.3283195 ] [ 0.5822523 3.704509 1.5833613 ] [ 2.6825681 0.2963459 1.681245 ] [ 2.123366 2.3411929 0.4037577 ] [ 1.4995611 2.0310923 2.9916764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.790376e-11 2.789808e-11 -8.8069e-13 ] [ 3.156841e-11 -1.068e-13 2.3283195e-10 ] [ 5.822523e-11 3.704509e-10 1.5833613e-10 ] [ 2.6825681e-10 2.963459e-11 1.681245e-10 ] [ 2.123366e-10 2.3411929e-10 4.037577e-11 ] [ 1.4995611e-10 2.0310923e-10 2.9916764e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.4e-06 -8.9e-06 -1.32e-05 ] [ -1.05e-05 -1.08e-05 6.6e-06 ] [ 1e-05 4.2e-06 7.2e-06 ] [ 1.21e-05 1.47e-05 6.9e-06 ] [ -3e-06 -1.8e-06 1.29e-05 ] [ -2e-07 2.8e-06 -2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.34582837256e-14 -1.42593720426e-14 -2.11487315688e-14 ] [ -1.6822854657e-14 -1.73035076472e-14 1.05743657844e-14 ] [ 1.602176634e-14 6.729141862799999e-15 1.15356717648e-14 ] [ 1.93863372714e-14 2.35519965198e-14 1.10550187746e-14 ] [ -4.806529901999999e-15 -2.8839179412e-15 2.06680785786e-14 ] [ -3.204353268e-16 4.486094575199999e-15 -3.26844033336e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.223947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.75958054286544e-18 } }