{ "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" [ [ 1.250049 0.006506 1.072993 ] [ 1.196915 2.832702 0.8072165 ] [ 0.1797786 2.271145 2.71237 ] [ 2.446401 0.6534775 0.0239044 ] [ 1.500106 1.367345 2.855106 ] [ 2.614126 2.99563 2.902741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.250049e-10 6.506e-13 1.072993e-10 ] [ 1.196915e-10 2.832702e-10 8.072165e-11 ] [ 1.797786e-11 2.271145e-10 2.71237e-10 ] [ 2.446401e-10 6.534775e-11 2.39044e-12 ] [ 1.500106e-10 1.367345e-10 2.855106e-10 ] [ 2.614126e-10 2.99563e-10 2.902741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.1503452 -9.4628787 8.8499553 ] [ 1.669852 0.2340661 -0.7035009 ] [ -15.2690732 10.926041 -0.3167777 ] [ 12.5224911 7.6540097 -11.2968958 ] [ 10.7601735 -16.6542089 4.2048472 ] [ 3.4669018 7.3029708 -0.737628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.10691756348895e-08 -1.51612030186063e-08 1.417919147678505e-08 ] [ 2.675397834596122e-09 3.750152331418349e-10 -1.127132694691759e-09 ] [ -2.446375210232384e-08 1.750544744810225e-08 -5.075338249307962e-10 ] [ 2.006324247459607e-08 1.226307539671642e-08 -1.809962233837371e-08 ] [ 1.723969841745171e-08 -2.668298413749928e-08 6.736907877876341e-09 ] [ 5.554589010569438e-09 1.170064907814507e-08 -1.181810336447462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6.954844720918063 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.114288961314922e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0158448 0.3343977 1.3264508 ] [ 1.5974904 2.7137216 0.6324623 ] [ 0.1105669 2.2587244 2.495719 ] [ 2.402274 0.8308783 -0.4788588 ] [ 1.7633055 0.9012083 3.5181828 ] [ 2.2978941 3.0878754 2.8803747 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0158448e-10 3.343977000000001e-11 1.3264508e-10 ] [ 1.5974904e-10 2.7137216e-10 6.324623000000001e-11 ] [ 1.105669e-11 2.2587244e-10 2.495719e-10 ] [ 2.402274e-10 8.308783e-11 -4.788588e-11 ] [ 1.7633055e-10 9.012083e-11 3.5181828e-10 ] [ 2.2978941e-10 3.0878754e-10 2.8803747e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-05 3.6e-06 2.55e-05 ] [ 3.2e-05 4.67e-05 6.6e-06 ] [ 2.38e-05 -3.39e-05 -2.16e-05 ] [ -1.94e-05 -1.17e-05 2.29e-05 ] [ 2.03e-05 2.46e-05 -2.92e-05 ] [ -3.68e-05 -2.92e-05 -4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-14 5.76783583488e-15 4.08555038304e-14 ] [ 5.12696518656e-14 7.482164819136e-14 1.057436569728e-14 ] [ 3.813180357504e-14 -5.431378744512e-14 -3.460701500928e-14 ] [ -3.108222644352e-14 -1.874546646336e-14 3.668984461632e-14 ] [ 3.252418540224e-14 3.941354487168e-14 -4.678355732736e-14 ] [ -5.896009964544001e-14 -4.678355732736e-14 -6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.430605279081938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.030296543573814e-18 } }