{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.2120112 -15.5030964 3.8624989 ] [ -18.7654396 24.003485 1.0104325 ] [ -2.0713956 0.4334672 11.33991 ] [ 10.4280258 -7.4155949 -20.0973942 ] [ 20.6208206 -1.5182609 3.8845529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.636144559598775e-08 -2.483869860208865e-08 6.188405435445717e-09 ] [ -3.006554860615451e-08 3.845782248472349e-08 1.618891328396496e-09 ] [ -3.318741602747988e-09 6.944910137236378e-10 1.816853868397613e-08 ] [ 1.670753913785922e-08 -1.188109277810372e-08 -3.219957512624152e-08 ] [ 3.303819666703103e-08 -2.432522118254766e-09 6.223739838640841e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2330627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.986467333920524e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6704534 0.7421983 1.9667864 ] [ 2.3085169 3.2152406 1.6809036 ] [ 2.8511923 1.9350186 3.8422146 ] [ 3.5386783 1.3594253 0.3973982 ] [ 4.7197291 2.5516942 2.2729795 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6704534e-10 7.421983e-11 1.9667864e-10 ] [ 2.3085169e-10 3.2152406e-10 1.6809036e-10 ] [ 2.8511923e-10 1.9350186e-10 3.8422146e-10 ] [ 3.5386783e-10 1.3594253e-10 3.973982e-11 ] [ 4.7197291e-10 2.5516942e-10 2.2729795e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-05 6.41e-05 -6.71e-05 ] [ 8.5e-05 -0.0001487 3.95e-05 ] [ 7.57e-05 -1.02e-05 -0.0001209 ] [ -5.76e-05 -1.63e-05 0.0001169 ] [ -3.49e-05 0.0001112 3.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.089480102144e-13 1.0269952139328e-13 -1.0750605125568e-13 ] [ 1.36185012768e-13 -2.3824366351296e-13 6.32859765216e-14 ] [ 1.2128477019456e-13 -1.634220153216e-14 -1.9370315345472e-13 ] [ -9.228537335808e-14 -2.611547891904e-14 1.8729444697152e-13 ] [ -5.591596406592e-14 1.7816204023296e-13 5.078899887936e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.709606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.677174007597941e-18 } }