{ "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" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0260402 -2.6720678 0.2706855 ] [ 0.4581747 0.8867493 -1.2893824 ] [ 0.3659023 2.2586747 0.8914157 ] [ -0.0754302 -3.8035145 1.0146771 ] [ -1.7746871 3.3301583 -0.887396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.643897620440956e-09 -4.281124558352491e-09 4.336859796895585e-10 ] [ 7.340767925820538e-10 1.420728996970766e-09 -2.065818336550994e-09 ] [ 5.862401105569478e-10 3.618795798332453e-09 1.428205393954067e-09 ] [ -1.208525029422682e-10 -6.093902008773801e-09 1.625691927281144e-09 ] [ -2.843362180855352e-09 5.335501771823073e-09 -1.421765124591437e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.101341 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.419501549292849e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2599094 0.0578819 2.6614434 ] [ 0.4428246 1.4768292 0.6593406 ] [ -0.0995577 2.4073237 2.8718839 ] [ 2.4173199 0.471448 1.7298232 ] [ 2.0578197 2.820892 1.9401829 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599094e-11 5.788190000000001e-12 2.6614434e-10 ] [ 4.428246000000001e-11 1.4768292e-10 6.593406e-11 ] [ -9.95577e-12 2.4073237e-10 2.8718839e-10 ] [ 2.4173199e-10 4.71448e-11 1.7298232e-10 ] [ 2.0578197e-10 2.820892e-10 1.9401829e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -3.4e-06 1.99e-05 ] [ -1.19e-05 -8.3e-06 -2.62e-05 ] [ -1.87e-05 1.65e-05 2.5e-06 ] [ 1.86e-05 -1.15e-05 -1.99e-05 ] [ 1.2e-05 6.7e-06 2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 -5.44740051072e-15 3.188331475392e-14 ] [ -1.906590178752e-14 -1.329806595264e-14 -4.197702746496e-14 ] [ -2.996070280896e-14 2.64359142432e-14 4.005441552e-15 ] [ 2.980048514688e-14 -1.84250311392e-14 -3.188331475392e-14 ] [ 1.92261194496e-14 1.073458335936e-14 3.797158591296e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }