{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7647958 -3.5884909 -4.6493977 ] [ -6.1592335 -3.2619541 0.9104122 ] [ 2.103773 3.0032207 1.8611318 ] [ -5.0799121 5.3591222 1.6867468 ] [ -0.7387029 -0.3830343 -0.6438474 ] [ 4.289613 -1.1429701 -1.0945163 ] [ 2.8196666 0.0141065 1.9294706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.429691228541337e-09 -5.74939627130163e-09 -7.44915635711334e-09 ] [ -9.868179997050038e-09 -5.226226640200499e-09 1.458641154148535e-09 ] [ 3.370615943840081e-09 4.811690032285123e-09 2.981861882754361e-09 ] [ -8.13891646939387e-09 8.586260367590673e-09 2.702466310434271e-09 ] [ -1.183532525848039e-09 -6.136886054805461e-10 -1.031557260141651e-09 ] [ 6.872717717502642e-09 -1.831239987580643e-09 -1.753608441392134e-09 ] [ 4.517603942190225e-09 2.2601104687521e-11 3.09135271130996e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.271924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.087702632502381e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3385796 0.9637171 1.9397066 ] [ 0.8831781 1.2900526 3.8412907 ] [ 2.3648547 2.583494 5.22562 ] [ 1.9984111 3.2504191 2.9065132 ] [ 4.3375808 0.1638729 3.03741 ] [ 4.2572938 2.5139927 2.3808444 ] [ 4.5475869 1.8718943 4.7176712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3385796e-10 9.637171e-11 1.9397066e-10 ] [ 8.831781e-11 1.2900526e-10 3.8412907e-10 ] [ 2.3648547e-10 2.583494e-10 5.22562e-10 ] [ 1.9984111e-10 3.2504191e-10 2.9065132e-10 ] [ 4.3375808e-10 1.638729e-11 3.03741e-10 ] [ 4.2572938e-10 2.5139927e-10 2.3808444e-10 ] [ 4.5475869e-10 1.8718943e-10 4.7176712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.1e-06 9.7e-06 7.6e-06 ] [ 8.2e-06 4.1e-06 -6.1e-06 ] [ -2.6e-06 2.1e-06 -1.18e-05 ] [ -1.79e-05 -1.63e-05 1.35e-05 ] [ -7.9e-06 -3.9e-06 -7e-06 ] [ 2.36e-05 -4.6e-06 -2.2e-06 ] [ 2.6e-06 9e-06 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.773277467399999e-15 1.55411133498e-14 1.21765424184e-14 ] [ 1.31378483988e-14 6.568924199399999e-15 -9.773277467399999e-15 ] [ -4.165659248399999e-15 3.364570931399999e-15 -1.89056842812e-14 ] [ -2.86789617486e-14 -2.61154791342e-14 2.162938455899999e-14 ] [ -1.26571954086e-14 -6.248488872599999e-15 -1.1215236438e-14 ] [ 3.78113685624e-14 -7.370012516399999e-15 -3.5247885948e-15 ] [ 4.165659248399999e-15 1.4419589706e-14 9.613059803999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.475251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.600932199548513e-18 } }