{ "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" [ [ 1.812764 2.945421 2.559452 ] [ 2.048733 5.064469 2.590361 ] [ 1.68878 4.0736 4.61933 ] [ 3.825985 1.610162 2.771694 ] [ 3.464008 1.900955 5.010898 ] [ 3.739673 4.208091 3.771007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.812764e-10 2.945421e-10 2.559452e-10 ] [ 2.048733e-10 5.064469e-10 2.590361e-10 ] [ 1.68878e-10 4.0736e-10 4.61933e-10 ] [ 3.825985e-10 1.610162e-10 2.771694e-10 ] [ 3.464008e-10 1.900955e-10 5.010898e-10 ] [ 3.739673e-10 4.208091e-10 3.771007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5970548 -8.6531693 -4.3141705 ] [ -1.8029965 9.6277997 -5.2179785 ] [ -5.0561694 -0.9848422 7.8309807 ] [ 0.4156616 -0.7764341 -2.3820035 ] [ -0.4114585 0.2249514 2.9377428 ] [ 9.4520175 0.5616945 1.145429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16094048349642e-09 -1.38639055482843e-08 -6.912063113245047e-09 ] [ -2.888718839684227e-09 1.542543558908525e-08 -8.360123160537052e-09 ] [ -8.100876403484364e-09 -1.577891148017238e-09 1.254661419547602e-08 ] [ 6.659632976843214e-10 -1.243984562611889e-09 -3.816390318363773e-09 ] [ -6.592291891294369e-10 3.604118738962291e-10 4.706782832083531e-09 ] [ 1.514380145789246e-08 8.999337959319456e-10 1.835179564586323e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7921635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.40865988059511e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6529675 2.8457867 2.1967622 ] [ 2.113866 5.263675 2.545881 ] [ 1.6312154 3.6316859 4.6362641 ] [ 3.4286071 1.3593003 2.8457675 ] [ 3.7311498 2.2026593 5.0731072 ] [ 4.0221372 4.4995908 4.0249599 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6529675e-10 2.8457867e-10 2.1967622e-10 ] [ 2.113866e-10 5.263675e-10 2.545881e-10 ] [ 1.6312154e-10 3.6316859e-10 4.6362641e-10 ] [ 3.4286071e-10 1.3593003e-10 2.8457675e-10 ] [ 3.7311498e-10 2.2026593e-10 5.0731072e-10 ] [ 4.022137200000001e-10 4.4995908e-10 4.0249599e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 4.34e-05 5.1e-06 ] [ -2.26e-05 -2.4e-05 -1.14e-05 ] [ 3.05e-05 -1e-05 -2.6e-06 ] [ 8.4e-06 -2.19e-05 -3.42e-05 ] [ -1.71e-05 3.24e-05 3.6e-05 ] [ 1.6e-06 -1.99e-05 7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 6.953446534272e-14 8.17110076608e-15 ] [ -3.620919163008e-14 -3.84522388992e-14 -1.826481347712e-14 ] [ 4.88663869344e-14 -1.6021766208e-14 -4.16565921408e-15 ] [ 1.345828361472e-14 -3.508766799552e-14 -5.479444043136e-14 ] [ -2.739722021568e-14 5.191052251392001e-14 5.76783583488e-14 ] [ 2.56348259328e-15 -3.188331475392e-14 1.137545400768e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.127106 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.263411895276341e-18 } }