{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9084749 -3.650946 0.7007092 ] [ -5.450136 1.6866508 -9.1276387 ] [ -4.3427008 -1.938944 4.2936879 ] [ 5.6670844 1.0852793 -0.4251097 ] [ 1.9914238 -0.6415887 -0.6185756 ] [ 0.4677199 -0.8117314 0.9666897 ] [ 7.5750836 4.27128 4.2102371 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.466420427355485e-09 -5.849460373195763e-09 1.122659907468833e-09 ] [ -8.732080551322222e-09 2.702312501477407e-09 -1.462408944873413e-08 ] [ -6.957773750213107e-09 -3.106530771434496e-09 6.879246427068528e-09 ] [ 9.07967020858591e-09 1.738809135823876e-09 -6.811008282267497e-10 ] [ 3.190612680751489e-09 -1.027938423778436e-09 -9.910673726825302e-10 ] [ 7.493698950368166e-10 -1.300537082164108e-09 1.54880764966847e-09 ] [ 1.21366219445166e-08 6.843345013271519e-09 6.74554350521992e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.286563 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.929830395476894e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1345845 1.5728168 3.0441552 ] [ 1.8429397 3.9534509 2.3596486 ] [ 1.5309854 3.2881863 4.7230259 ] [ 4.4992697 1.8261296 2.6096393 ] [ 3.7961311 2.3022788 4.8731715 ] [ 4.2273909 4.045409 1.9715391 ] [ 3.5044716 4.6829146 4.1886703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1345845e-10 1.5728168e-10 3.0441552e-10 ] [ 1.8429397e-10 3.9534509e-10 2.3596486e-10 ] [ 1.5309854e-10 3.2881863e-10 4.7230259e-10 ] [ 4.4992697e-10 1.8261296e-10 2.6096393e-10 ] [ 3.7961311e-10 2.3022788e-10 4.873171499999999e-10 ] [ 4.2273909e-10 4.045409000000001e-10 1.9715391e-10 ] [ 3.5044716e-10 4.6829146e-10 4.1886703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.84e-05 -5.8e-06 -1.82e-05 ] [ -2.4e-05 -8.4e-06 -1.02e-05 ] [ 3.7e-06 1.77e-05 9.1e-06 ] [ -2.07e-05 2.08e-05 2e-05 ] [ -2e-06 2.7e-06 7.4e-06 ] [ 1.31e-05 3.4e-06 -2.57e-05 ] [ 1.16e-05 -3.04e-05 1.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.94800500656e-14 -9.2926244772e-15 -2.915961473879999e-14 ] [ -3.8452239216e-14 -1.34582837256e-14 -1.63422016668e-14 ] [ 5.9280535458e-15 2.83585264218e-14 1.45798073694e-14 ] [ -3.316505632379999e-14 3.332527398719999e-14 3.204353268e-14 ] [ -3.204353268e-15 4.3258769118e-15 1.18561070916e-14 ] [ 2.09885139054e-14 5.4474005556e-15 -4.11759394938e-14 ] [ 1.85852489544e-14 -4.870616967359999e-14 2.8038091095e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210092579071e-18 } }