{ "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" [ [ 1.152391 0.2084818 1.476287 ] [ 0.2004725 1.985654 1.37487 ] [ 0.8976264 2.29727 2.845471 ] [ 1.752289 1.001076 2.997864 ] [ 1.785348 1.533822 0.3428561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.152391e-10 2.084818e-11 1.476287e-10 ] [ 2.004725e-11 1.985654e-10 1.37487e-10 ] [ 8.976264000000001e-11 2.29727e-10 2.845471e-10 ] [ 1.752289e-10 1.001076e-10 2.997864e-10 ] [ 1.785348e-10 1.533822e-10 3.428561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -77.0115935 -177.4577002 39.4024069 ] [ -236.5884605 -60.6026342 -353.8744618 ] [ -338.3846913 885.52814 300.3634755 ] [ 543.3172174 -759.5773297 152.8405476 ] [ 108.6675279 112.1095241 -138.7319682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233861746362533e-07 -2.843185784413755e-07 6.312961513842861e-08 ] [ -3.790565001641643e-07 -9.709612367413451e-08 -5.669693893941428e-07 ] [ -5.421520412374851e-07 1.418772482968509e-06 4.812353381883337e-07 ] [ 8.70490143396391e-07 -1.216977039335033e-06 2.448775520749896e-07 ] [ 1.741045726415117e-07 1.796192584820342e-07 -2.222731160076091e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 316.48094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.070583629968075e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.249918 -0.1270759 1.3617609 ] [ -0.0654057 2.1523874 1.0996059 ] [ 0.7265894 2.8095563 3.4205934 ] [ 1.9847033 0.6294745 3.6712687 ] [ 1.8923219 1.5619616 -0.5158807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.249918e-10 -1.270759e-11 1.3617609e-10 ] [ -6.54057e-12 2.1523874e-10 1.0996059e-10 ] [ 7.265894e-11 2.8095563e-10 3.4205934e-10 ] [ 1.9847033e-10 6.294745e-11 3.6712687e-10 ] [ 1.8923219e-10 1.5619616e-10 -5.158807e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.86e-05 3.6e-05 5.2e-05 ] [ -2.1e-06 5.2e-06 -4.5e-06 ] [ 1.5e-06 -7.8e-06 -4.35e-05 ] [ -2.9e-06 -4.38e-05 -6.9e-06 ] [ -1.51e-05 1.04e-05 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.980048514688e-14 5.76783583488e-14 8.33131842816e-14 ] [ -3.36457090368e-15 8.33131842816e-15 -7.2097947936e-15 ] [ 2.4032649312e-15 -1.249697764224e-14 -6.969468300480001e-14 ] [ -4.646312200320001e-15 -7.017533599104001e-14 -1.105501868352e-14 ] [ -2.419286697408e-14 1.666263685632e-14 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }