{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.5240566 -1.4324864 1.2965175 ] [ -15.905435 -2.0538476 -4.1964108 ] [ -5.7877123 1.8320997 -4.2293854 ] [ 12.9292967 8.973733 -11.2581879 ] [ 3.239794 -7.3194988 18.3874667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.850514336495937e-09 -2.295096219693957e-09 2.077250026958064e-09 ] [ -2.548331610065405e-08 -3.29062660740619e-09 -6.723391275032624e-09 ] [ -9.272937334976597e-09 2.935347306314694e-09 -6.776222408232856e-09 ] [ 2.071501689612659e-08 1.437750521390144e-08 -1.803760544595345e-08 ] [ 5.190722203008115e-09 -1.172712985333365e-08 2.945996926247853e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6516533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.386147664852717e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.112759 1.9109823 1.4676827 ] [ 2.7634923 3.8453004 2.8096278 ] [ 5.3056005 2.2160975 2.3410329 ] [ 5.125292 4.7482059 2.5211839 ] [ 4.5319863 3.242509 4.5375077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.112759e-10 1.9109823e-10 1.4676827e-10 ] [ 2.7634923e-10 3.8453004e-10 2.8096278e-10 ] [ 5.3056005e-10 2.2160975e-10 2.3410329e-10 ] [ 5.125292e-10 4.748205900000001e-10 2.5211839e-10 ] [ 4.5319863e-10 3.242509e-10 4.5375077e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 -2.48e-05 4.36e-05 ] [ 1.8e-06 3.29e-05 -1.01e-05 ] [ 2e-05 3.83e-05 2e-07 ] [ 4.3e-06 -1.54e-05 2.01e-05 ] [ -1.83e-05 -3.11e-05 -5.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 -3.973398019584e-14 6.985490066688e-14 ] [ 2.88391791744e-15 5.271161082432e-14 -1.618198387008e-14 ] [ 3.2043532416e-14 6.136336457664001e-14 3.2043532416e-16 ] [ 6.889359469440001e-15 -2.467351996032e-14 3.220375007808e-14 ] [ -2.931983216064e-14 -4.982769290688e-14 -8.619710219904001e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.946258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.554872175684497e-18 } }