{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.947833 2.66109 2.800328 ] [ 2.760428 0.8143556 5.686562 ] [ 2.02068 0.2574425 3.346376 ] [ 3.738236 1.129785 1.86566 ] [ 4.311233 0.7772723 4.159405 ] [ 3.473629 2.806736 4.589232 ] [ 4.175068 3.516721 2.41803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.947833e-10 2.66109e-10 2.800328e-10 ] [ 2.760428e-10 8.143556e-11 5.686562e-10 ] [ 2.02068e-10 2.574425e-11 3.346376e-10 ] [ 3.738236e-10 1.129785e-10 1.86566e-10 ] [ 4.311233e-10 7.772723e-11 4.159405e-10 ] [ 3.473629e-10 2.806736e-10 4.589232e-10 ] [ 4.175068e-10 3.516721e-10 2.41803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4166128 0.8893744 -1.9565109 ] [ -1.5068658 -0.8076522 0.6848126 ] [ 0.0124354 -0.0064559 0.3409489 ] [ -0.3617065 0.3370473 -0.7854309 ] [ 3.6006221 -3.0057664 -0.3641338 ] [ 0.0778438 3.4657816 2.5151841 ] [ -0.4057163 -0.8723288 -0.43487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.269663908886026e-09 1.424934870818028e-09 -3.134676022320367e-09 ] [ -2.414265155443089e-09 -1.294001472577686e-09 1.097190737349262e-09 ] [ 1.992370715029632e-11 -1.034349204622272e-11 5.462603564674772e-10 ] [ -5.795176978913952e-10 5.400093041637638e-10 -1.258399025233903e-09 ] [ 5.768832548955799e-09 -4.815768653666181e-09 -5.83406661203063e-10 ] [ 1.24719516434231e-10 5.552794252318818e-09 4.029769162027889e-09 ] [ -6.50029170537479e-10 -1.397624809010519e-09 -6.967385470872959e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.865797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.785028171495878e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8869838 2.7244314 2.6702314 ] [ 2.8415094 0.8627778 5.5183015 ] [ 2.0285226 0.2663362 3.3557897 ] [ 3.4993768 1.0871859 1.7748673 ] [ 4.5908934 0.8939618 3.9821136 ] [ 3.2470231 3.1019974 4.8009616 ] [ 4.3327978 3.026712 2.7633279 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8869838e-10 2.7244314e-10 2.6702314e-10 ] [ 2.8415094e-10 8.627778000000001e-11 5.5183015e-10 ] [ 2.0285226e-10 2.663362e-11 3.3557897e-10 ] [ 3.4993768e-10 1.0871859e-10 1.7748673e-10 ] [ 4.5908934e-10 8.939618e-11 3.9821136e-10 ] [ 3.2470231e-10 3.1019974e-10 4.8009616e-10 ] [ 4.3327978e-10 3.026712e-10 2.7633279e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.2e-06 -1.18e-05 1.62e-05 ] [ 1.51e-05 -6.9e-06 -6.38e-05 ] [ -1e-07 -4.7e-06 3.04e-05 ] [ -1.15e-05 -7.2e-06 -7.8e-06 ] [ -2.45e-05 -1.49e-05 3.32e-05 ] [ -6.7e-06 1.22e-05 -7.4e-06 ] [ 1.86e-05 3.34e-05 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.474002491136e-14 -1.890568412544e-14 2.595526125696e-14 ] [ 2.419286697408e-14 -1.105501868352e-14 -1.0221886840704e-13 ] [ -1.6021766208e-16 -7.53023011776e-15 4.870616927232e-14 ] [ -1.84250311392e-14 -1.153567166976e-14 -1.249697764224e-14 ] [ -3.92533272096e-14 -2.387243164992e-14 5.319226381056e-14 ] [ -1.073458335936e-14 1.954655477376e-14 -1.185610699392e-14 ] [ 2.980048514688e-14 5.351269913472e-14 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }