{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 31.5813409 -99.1610703 -39.9219508 ] [ -47.2683971 63.1911117 28.2858693 ] [ 1.2983588 -3.8856751 5.9445614 ] [ 18.8995181 20.824707 -16.3848183 ] [ -4.5108207 19.0309267 22.0763385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.059888604349483e-08 -1.588735485281652e-07 -6.396201622848786e-08 ] [ -7.573232073631052e-08 1.012433218081014e-07 4.531895849146447e-08 ] [ 2.080200114769943e-09 -6.225537801244702e-09 9.524237295990117e-09 ] [ 3.028036604420644e-08 3.336485869041011e-08 -2.6251372816316e-08 ] [ -7.227131466160691e-09 3.04909058308985e-08 3.537019341756694e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 27.560976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.415755139362991e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2268319 -0.636828 0.7176935 ] [ -0.1615604 1.1935303 0.1139574 ] [ 0.2991517 0.7364219 2.4194503 ] [ 0.9223113 3.2427071 0.339388 ] [ 1.3697134 2.7987694 2.5786303 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2268319e-10 -6.36828e-11 7.176935e-11 ] [ -1.615604e-11 1.1935303e-10 1.139574e-11 ] [ 2.991517e-11 7.364219e-11 2.4194503e-10 ] [ 9.223113e-11 3.2427071e-10 3.393880000000001e-11 ] [ 1.3697134e-10 2.7987694e-10 2.5786303e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.2e-05 2.64e-05 4.83e-05 ] [ 4.71e-05 2.09e-05 -3.35e-05 ] [ 4.57e-05 -9.6e-06 -3.62e-05 ] [ -4.37e-05 -3.28e-05 2.68e-05 ] [ 2.8e-06 -4.9e-06 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.33131842816e-14 4.229746278912e-14 7.738513078464e-14 ] [ 7.546251883968001e-14 3.348549137472e-14 -5.36729167968e-14 ] [ 7.321947157056e-14 -1.538089555968e-14 -5.799879367296e-14 ] [ -7.001511832895999e-14 -5.255139316223999e-14 4.293833343744e-14 ] [ 4.48609453824e-15 -7.850665441919999e-15 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.846295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.218421013369993e-18 } }