{ "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" [ [ 0.5187494 -5.3527622 -5.8353814 ] [ -5.293837 -4.0338616 2.5022675 ] [ 1.1464148 3.0803561 3.2810012 ] [ -3.9136351 7.4326477 0.9536268 ] [ 0.5349519 -1.8145672 -0.554515 ] [ 6.0063394 0.7420741 -2.6164732 ] [ 1.0010166 -0.053887 2.2694741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.311281607340275e-10 -8.576070453541973e-09 -9.349311652531173e-09 ] [ -8.48166187572601e-09 -6.462958747062882e-09 4.009074487487664e-09 ] [ 1.836758990299108e-09 4.935274527158667e-09 5.256743415456745e-09 ] [ -6.27033465956227e-09 1.190841437558289e-08 1.527878563928318e-09 ] [ 8.570874274325395e-10 -2.907257144710518e-09 -8.88430968882912e-10 ] [ 9.6232165632699e-09 1.188933773921201e-09 -4.192052189989763e-09 ] [ 1.603805393552705e-09 -8.63364915650496e-11 3.636098344531122e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.902426 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.188720163440206e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4373538 0.8628611 2.0381466 ] [ 1.1174147 1.2373276 4.1959255 ] [ 2.0554025 3.1227614 5.4998977 ] [ 2.1610859 3.3184979 3.004552 ] [ 4.7574244 0.1039412 2.6016058 ] [ 4.4501672 2.5262214 2.1854673 ] [ 3.7486365 1.465832 4.5234611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4373538e-10 8.628611000000001e-11 2.0381466e-10 ] [ 1.1174147e-10 1.2373276e-10 4.1959255e-10 ] [ 2.0554025e-10 3.1227614e-10 5.4998977e-10 ] [ 2.1610859e-10 3.3184979e-10 3.004552e-10 ] [ 4.7574244e-10 1.039412e-11 2.6016058e-10 ] [ 4.450167200000001e-10 2.5262214e-10 2.1854673e-10 ] [ 3.7486365e-10 1.465832e-10 4.5234611e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.02e-05 -1.93e-05 4e-07 ] [ 9.7e-06 7e-07 2.04e-05 ] [ -3.19e-05 1.88e-05 -5.65e-05 ] [ 2.43e-05 9.2e-06 5.06e-05 ] [ 1.63e-05 -2.3e-06 -2.1e-06 ] [ 5.6e-06 2.47e-05 5e-07 ] [ 6.2e-06 -3.19e-05 -1.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.838573394816e-14 -3.092200878144e-14 6.408706483200001e-16 ] [ 1.554111322176e-14 1.12152363456e-15 3.268440306432e-14 ] [ -5.110943420352001e-14 3.012092047104e-14 -9.052297907519999e-14 ] [ 3.893289188544e-14 1.474002491136e-14 8.107013701248e-14 ] [ 2.611547891904e-14 -3.68500622784e-15 -3.36457090368e-15 ] [ 8.972189076479999e-15 3.957376253376001e-14 8.010883104e-16 ] [ 9.93349504896e-15 -5.110943420352001e-14 -2.114873139456e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.579661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.777878158058956e-18 } }