{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3247182 0.2574581 0.2093782 ] [ 0.0650872 0.6230634 2.300965 ] [ 0.7071473 2.551012 0.1142943 ] [ 0.540381 2.928346 2.93806 ] [ 2.649535 1.391538 0.3805226 ] [ 1.868471 1.381011 2.58095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.247182e-11 2.574581e-11 2.093782e-11 ] [ 6.50872e-12 6.230634000000001e-11 2.300965e-10 ] [ 7.071473000000001e-11 2.551012e-10 1.142943e-11 ] [ 5.40381e-11 2.928346e-10 2.93806e-10 ] [ 2.649535e-10 1.391538e-10 3.805226e-11 ] [ 1.868471e-10 1.381011e-10 2.58095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8322439 -4.1049723 -9.0530743 ] [ -28.8316007 -16.9349988 4.4620853 ] [ -3.3597995 6.8038292 -3.7657117 ] [ -8.7227704 16.8128237 3.1139907 ] [ 3.9481163 -1.5946406 0.466891 ] [ 37.7982981 -0.9820412 4.7758189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.333401730369033e-09 -6.576890702277238e-09 -1.45046241093259e-08 ] [ -4.619331696235804e-08 -2.713285937417804e-08 7.149048806574879e-09 ] [ -5.382992253824882e-09 1.090093616596691e-08 -6.033335296120417e-09 ] [ -1.397541891862683e-08 2.693711328370142e-08 4.989163138033304e-09 ] [ 6.325579684174533e-09 -2.55489590894774e-09 7.480418508248939e-10 ] [ 6.055955002078659e-08 -1.573403464265321e-09 7.651705449795581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.438277 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.110903704619618e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2682742 0.3595241 0.0941075 ] [ -0.0551715 0.4059832 2.5480738 ] [ 0.6708554 2.8689751 0.0996617 ] [ 0.3474097 2.9154344 2.5536275 ] [ 2.6237089 1.2680269 0.3873668 ] [ 2.300263 1.3144849 2.8413327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682742e-11 3.595241e-11 9.41075e-12 ] [ -5.51715e-12 4.059832e-11 2.5480738e-10 ] [ 6.708554e-11 2.8689751e-10 9.966170000000001e-12 ] [ 3.474097e-11 2.9154344e-10 2.5536275e-10 ] [ 2.6237089e-10 1.2680269e-10 3.873668e-11 ] [ 2.300263e-10 1.3144849e-10 2.8413327e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 2.3e-06 8.6e-06 ] [ -8e-07 -3.6e-06 -2.3e-06 ] [ -1.9e-06 7.5e-06 -4.7e-06 ] [ 2.4e-06 -4.2e-06 -3.4e-06 ] [ -2.6e-06 -2.3e-06 2.3e-06 ] [ -0.0 2e-07 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-15 3.685006258199999e-15 1.37787190524e-14 ] [ -1.2817413072e-15 -5.767835882399999e-15 -3.685006258199999e-15 ] [ -3.0441356046e-15 1.2016324755e-14 -7.530230179799999e-15 ] [ 3.845223921599999e-15 -6.729141862799999e-15 -5.4474005556e-15 ] [ -4.165659248399999e-15 -3.685006258199999e-15 3.685006258199999e-15 ] [ 0.0 3.204353268e-16 -8.010883169999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -16.599118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.659471900460881e-18 } }