{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4359355 0.9433467 1.3323837 ] [ 1.9722781 1.0370551 0.8427967 ] [ -4.595433 -1.1070674 -0.7109139 ] [ -0.1479817 0.9681945 -0.2213219 ] [ 1.0977179 -0.8143423 -3.4873305 ] [ 4.2353879 -3.4347355 2.5943291 ] [ -1.1260337 2.4075489 -0.3499433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.300622306031107e-09 1.511408040501008e-09 2.134714031662466e-09 ] [ 3.159937887569915e-09 1.661545449390533e-09 1.350309179952308e-09 ] [ -7.362695375712521e-09 -1.773717520543131e-09 -1.139009639365812e-09 ] [ -2.370928219995978e-10 1.551218605067313e-09 -3.545967767724846e-10 ] [ 1.758737970103548e-09 -1.304720205137818e-09 -5.587319442135537e-09 ] [ 6.785839529306328e-09 -5.503052962070306e-09 4.156573464926249e-09 ] [ -1.804104883236566e-09 3.857318592792402e-09 -5.606709784848521e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.366791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.102902001576149e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0601061 1.5102311 2.3479112 ] [ 1.2851298 1.5521243 4.6243906 ] [ 2.4334497 3.5424428 5.3731904 ] [ 1.098501 3.5630787 3.2525958 ] [ 4.2080857 2.4667095 2.3540877 ] [ 4.6845422 3.0658623 4.6341598 ] [ 3.3214186 4.5529283 3.2589854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0601061e-10 1.5102311e-10 2.3479112e-10 ] [ 1.2851298e-10 1.5521243e-10 4.6243906e-10 ] [ 2.4334497e-10 3.5424428e-10 5.3731904e-10 ] [ 1.098501e-10 3.5630787e-10 3.2525958e-10 ] [ 4.2080857e-10 2.4667095e-10 2.3540877e-10 ] [ 4.684542200000001e-10 3.0658623e-10 4.6341598e-10 ] [ 3.3214186e-10 4.5529283e-10 3.2589854e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 8.6e-06 -1.42e-05 ] [ -3.4e-06 2.8e-06 2.95e-05 ] [ -8e-07 1.53e-05 -6.6e-06 ] [ -4.8e-06 -1.64e-05 1.08e-05 ] [ 1.43e-05 1.29e-05 -2.29e-05 ] [ -2.51e-05 -2.52e-05 1.09e-05 ] [ 6.7e-06 1.8e-06 -7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.11487315688e-14 1.37787190524e-14 -2.27509082028e-14 ] [ -5.4474005556e-15 4.486094575199999e-15 4.726421070299999e-14 ] [ -1.2817413072e-15 2.45133025002e-14 -1.05743657844e-14 ] [ -7.690447843199998e-15 -2.62756967976e-14 1.73035076472e-14 ] [ 2.29111258662e-14 2.06680785786e-14 -3.66898449186e-14 ] [ -4.02146335134e-14 -4.037485117679999e-14 1.74637253106e-14 ] [ 1.07345834478e-14 2.8839179412e-15 -1.2016324755e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.475251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.600932199548513e-18 } }