{ "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" [ [ 2.488897 2.770028 3.014921 ] [ 0.2049674 2.791914 3.698619 ] [ 0.8141582 3.850123 1.870554 ] [ 0.3012674 5.24423 3.479153 ] [ 2.657762 5.04937 3.20133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.488897e-10 2.770028e-10 3.014921e-10 ] [ 2.049674e-11 2.791914e-10 3.698619e-10 ] [ 8.141582e-11 3.850123e-10 1.870554e-10 ] [ 3.012674e-11 5.244230000000001e-10 3.479153e-10 ] [ 2.657762e-10 5.04937e-10 3.20133e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.969083 -1.2276377 0.3477327 ] [ -0.7958285 -0.831907 1.6250932 ] [ 0.31947 0.1785819 -3.4107434 ] [ -0.5742369 1.1992011 1.4446889 ] [ 0.0815123 0.6817617 -0.0067714 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.552642126214726e-09 -1.966892421752685e-09 5.571292022276602e-10 ] [ -1.275057816866333e-09 -1.332861946079865e-09 2.603686331661059e-09 ] [ 5.11847365046976e-10 2.861197450780435e-10 -5.464613335027902e-09 ] [ -9.200289359806676e-10 1.921331966057643e-09 2.31464677990927e-09 ] [ 1.305971013676358e-10 1.092302656696863e-09 -1.084897877008512e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -15.737276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.521389568227694e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4831546 2.6947856 3.1314084 ] [ 0.1790808 2.8176589 3.7392894 ] [ 0.9266432 3.9156991 1.6678628 ] [ 0.2870489 5.2001964 3.6669425 ] [ 2.5911245 5.077325 3.0590739 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4831546e-10 2.6947856e-10 3.1314084e-10 ] [ 1.790808e-11 2.8176589e-10 3.7392894e-10 ] [ 9.266432e-11 3.9156991e-10 1.6678628e-10 ] [ 2.870489e-11 5.200196400000001e-10 3.6669425e-10 ] [ 2.5911245e-10 5.077325e-10 3.0590739e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 7.6e-06 -3.3e-06 ] [ -2e-06 6.1e-06 -1.5e-05 ] [ 1.4e-06 6e-07 3.36e-05 ] [ -1.36e-05 -2.5e-06 -3.6e-06 ] [ 9.2e-06 -1.18e-05 -1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-15 1.217654231808e-14 -5.28718284864e-15 ] [ -3.2043532416e-15 9.77327738688e-15 -2.4032649312e-14 ] [ 2.24304726912e-15 9.6130597248e-16 5.383313445888e-14 ] [ -2.178960204288e-14 -4.005441552e-15 -5.76783583488e-15 ] [ 1.474002491136e-14 -1.890568412544e-14 -1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }