{ "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" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0027078 2.13001 -1.8318735 ] [ 0.4291107 -0.1255848 0.4741966 ] [ -0.6701411 0.8806949 0.6378643 ] [ 0.5765821 -1.0269971 2.2084531 ] [ -2.2554652 0.0722095 0.8441609 ] [ -0.0827944 -1.9303325 -2.3328014 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.208691615453802e-09 3.412652224070208e-09 -2.934984893963069e-09 ] [ 6.875111312751225e-10 -2.012090304878438e-10 7.597467061828493e-10 ] [ -1.073684403057195e-09 1.411028778837794e-09 1.021971268702957e-09 ] [ 9.237863605917677e-10 -1.6454307432494e-09 3.538331924953284e-09 ] [ -3.613653612467996e-09 1.156923726996576e-10 1.352494858173487e-09 ] [ -1.326512520131635e-10 -3.092733601870416e-09 -3.737559864049509e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.734457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.161808562958291e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5804708 0.5060794 2.4263639 ] [ 0.8321515 2.0456382 2.919328 ] [ 2.3764814 1.1976624 4.6957257 ] [ 2.5965312 3.3880338 3.7881348 ] [ 4.3448513 1.8484759 3.2951678 ] [ 2.8005203 2.6964554 1.5187738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5804708e-10 5.060794e-11 2.4263639e-10 ] [ 8.321515e-11 2.0456382e-10 2.919328e-10 ] [ 2.3764814e-10 1.1976624e-10 4.695725699999999e-10 ] [ 2.5965312e-10 3.3880338e-10 3.7881348e-10 ] [ 4.3448513e-10 1.8484759e-10 3.2951678e-10 ] [ 2.8005203e-10 2.6964554e-10 1.5187738e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 9.5e-06 3.25e-05 ] [ -2.7e-06 9.3e-06 2.14e-05 ] [ -4.4e-06 -3.36e-05 -3.65e-05 ] [ -1.1e-05 2.73e-05 -2.68e-05 ] [ -8.2e-06 -1.01e-05 -9.2e-06 ] [ 1.02e-05 -2.4e-06 1.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-14 1.52206778976e-14 5.207074017599999e-14 ] [ -4.32587687616e-15 1.490024257344e-14 3.428657968511999e-14 ] [ -7.04957713152e-15 -5.383313445888e-14 -5.84794466592e-14 ] [ -1.76239428288e-14 4.373942174784e-14 -4.293833343744e-14 ] [ -1.313784829056e-14 -1.618198387008e-14 -1.474002491136e-14 ] [ 1.634220153216e-14 -3.84522388992e-15 2.980048514688e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.062777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.855281874092396e-18 } }