{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2618078 -1.8422874 1.1577718 ] [ -4.7471644 6.4067827 0.665033 ] [ 1.0713698 -1.5250693 1.3868756 ] [ 1.1792812 -2.1531715 -2.9918061 ] [ 3.1003124 -3.0741166 -2.6342921 ] [ 1.7015547 1.4383514 -0.8052977 ] [ -1.043546 0.7495108 3.2217156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.021638973758945e-09 -2.951669825392611e-09 1.854954925464121e-09 ] [ -7.605795879436629e-09 1.026479754105543e-08 1.065500333438922e-09 ] [ 1.716523659933253e-09 -2.443430397690736e-09 2.22201968058473e-09 ] [ 1.88941678355548e-09 -3.449761066294731e-09 -4.793401826878667e-09 ] [ 4.967248085380461e-09 -4.925277786711524e-09 -4.220601249750792e-09 ] [ 2.72619118181288e-09 2.304493004561188e-09 -1.290229158353942e-09 ] [ -1.671945017704164e-09 1.200848690690647e-09 5.16175745571329e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.545815 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.971367145148671e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4309424 0.8085244 1.6846726 ] [ 1.8959608 2.9390721 2.7294542 ] [ 2.8056998 -0.1283967 3.8983934 ] [ 2.2560038 2.0389511 4.8562299 ] [ 4.7899818 0.6565994 2.5578659 ] [ 3.9993081 2.7132359 1.5818396 ] [ 4.5544464 1.3253563 4.8610854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4309424e-10 8.085244000000001e-11 1.6846726e-10 ] [ 1.8959608e-10 2.939072100000001e-10 2.7294542e-10 ] [ 2.8056998e-10 -1.283967e-11 3.8983934e-10 ] [ 2.2560038e-10 2.0389511e-10 4.8562299e-10 ] [ 4.7899818e-10 6.565994000000001e-11 2.5578659e-10 ] [ 3.9993081e-10 2.7132359e-10 1.5818396e-10 ] [ 4.5544464e-10 1.3253563e-10 4.861085400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-05 -2.81e-05 -1.92e-05 ] [ 3.31e-05 -3.5e-06 -5.3e-06 ] [ -9e-07 -2e-06 5.8e-06 ] [ -1.22e-05 1.8e-06 2.14e-05 ] [ -1.62e-05 3.17e-05 -4.1e-06 ] [ 8.9e-06 -2.4e-06 1.61e-05 ] [ 2.3e-06 2.4e-06 -1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.403264951e-14 -4.50211634154e-14 -3.076179137279999e-14 ] [ 5.303204658539999e-14 -5.607618218999999e-15 -8.4915361602e-15 ] [ -1.4419589706e-15 -3.204353268e-15 9.2926244772e-15 ] [ -1.95465549348e-14 2.8839179412e-15 3.42865799676e-14 ] [ -2.59552614708e-14 5.078899929779999e-14 -6.568924199399999e-15 ] [ 1.42593720426e-14 -3.845223921599999e-15 2.579504380739999e-14 ] [ 3.685006258199999e-15 3.845223921599999e-15 -2.3231561193e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.946238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516174972780289e-18 } }