{ "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" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5246312 1.0729844 -2.1196442 ] [ -1.9210469 0.0291296 4.2779343 ] [ -1.5931501 -5.8660138 -7.5357543 ] [ 2.8607344 -2.2419355 5.8044107 ] [ 2.1780938 7.0058354 -0.4269465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.442728463982249e-09 1.719110520163116e-09 -3.39604438165432e-09 ] [ -3.077856430640316e-09 4.667076409325568e-11 6.854006320778414e-09 ] [ -2.552507843645182e-09 -9.398390167650168e-09 -1.207360935955307e-08 ] [ 4.583401773998316e-09 -3.591976643441558e-09 9.299691121061363e-09 ] [ 3.489690964269431e-09 1.122458568705302e-08 -6.840437006323872e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.736863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.720235087933255e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6058314 2.4134509 0.3791337 ] [ 0.4995632 1.6759806 2.6435364 ] [ 1.8872396 0.4183299 0.1338914 ] [ 2.7882148 1.1701863 2.2088917 ] [ 2.7042713 3.2811559 1.1046116 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.058314e-11 2.4134509e-10 3.791337e-11 ] [ 4.995632e-11 1.6759806e-10 2.6435364e-10 ] [ 1.8872396e-10 4.183299e-11 1.338914e-11 ] [ 2.7882148e-10 1.1701863e-10 2.2088917e-10 ] [ 2.7042713e-10 3.2811559e-10 1.1046116e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.89e-05 8.1e-06 2.66e-05 ] [ -1.58e-05 -1.32e-05 1.6e-06 ] [ -1.3e-06 -4.07e-05 -7.6e-06 ] [ -1.6e-05 1.32e-05 -1.51e-05 ] [ 1.42e-05 3.26e-05 -5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.028113813312e-14 1.297763062848e-14 4.261789811328e-14 ] [ -2.531439060864e-14 -2.114873139456e-14 2.56348259328e-15 ] [ -2.08282960704e-15 -6.520858846656e-14 -1.217654231808e-14 ] [ -2.56348259328e-14 2.114873139456e-14 -2.419286697408e-14 ] [ 2.275090801536e-14 5.223095783807999e-14 -8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }