{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.055832 0.6405486 1.855781 ] [ 0.890095 2.704191 1.463006 ] [ 2.442458 0.1179627 0.0087146 ] [ 2.783596 2.546667 0.3462901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.055832e-10 6.405486e-11 1.855781e-10 ] [ 8.90095e-11 2.704191e-10 1.463006e-10 ] [ 2.442458e-10 1.179627e-11 8.7146e-13 ] [ 2.783596e-10 2.546667e-10 3.462901e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8110114 -8.5136138 -1.9546444 ] [ -0.9966733 8.2661787 -1.6677873 ] [ -1.9337976 5.2240279 3.642609 ] [ -0.8805406 -4.9765927 -0.0201773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.105913366682277e-09 -1.364031298888025e-08 -3.131685559657644e-09 ] [ -1.596846659835585e-09 1.324387825649494e-08 -2.672089820527156e-09 ] [ -3.09828530407915e-09 8.36981536778692e-09 5.836102978515668e-09 ] [ -1.410781562985204e-09 -7.973380475183948e-09 -3.232759833086784e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -12.688843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.032976759960174e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6779324 0.7929638 2.0724415 ] [ 0.7449994 2.361227 0.8080798 ] [ 1.7930075 0.6490859 -0.1399057 ] [ 2.9560417 2.2060926 0.9331762 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6779324e-10 7.929638e-11 2.0724415e-10 ] [ 7.449994e-11 2.361227e-10 8.080798e-11 ] [ 1.7930075e-10 6.490859e-11 -1.399057e-11 ] [ 2.9560417e-10 2.2060926e-10 9.331762e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.28e-05 -1.7e-05 2.28e-05 ] [ -2.1e-06 -1.2e-06 -4.1e-06 ] [ -6.2e-06 -2.6e-06 -1.06e-05 ] [ 2.11e-05 2.08e-05 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.050786074624e-14 -2.72370025536e-14 3.652962695424e-14 ] [ -3.36457090368e-15 -1.92261194496e-15 -6.568924145279999e-15 ] [ -9.93349504896e-15 -4.16565921408e-15 -1.698307218048e-14 ] [ 3.380592669888e-14 3.332527371264e-14 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.027265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.048503914076612e-18 } }