{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0834535 -20.7663871 -2.94041 ] [ -38.1385394 4.5000172 -43.3710825 ] [ -11.2019291 14.977589 27.9052029 ] [ 0.8245631 -1.8793399 -7.0482025 ] [ 9.9714086 -57.482531 23.856199 ] [ 42.6279503 60.6506517 1.5982931 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.542413729823934e-09 -3.327141991010271e-08 -4.711056157566528e-09 ] [ -6.110467617813966e-08 7.209822351037878e-09 -6.948813440028801e-08 ] [ -1.794746891187918e-08 2.399674293175125e-08 4.470906368506036e-08 ] [ 1.321095721194372e-09 -3.01103445031661e-09 -1.129246526416411e-08 ] [ 1.597595773536406e-08 -9.209716727261125e-08 3.822184429895234e-08 ] [ 6.829750536328434e-08 9.717305619002377e-08 2.560747838005956e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 23.456924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.758213522868242e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5982145 0.1065012 3.1948993 ] [ 1.1218928 2.9723323 0.5667538 ] [ 0.8519953 2.4526381 2.9435904 ] [ 2.9479663 1.4022004 0.3323544 ] [ 2.8240392 0.7570075 2.6904633 ] [ 3.0598393 3.136899 2.0729377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.982145e-11 1.065012e-11 3.1948993e-10 ] [ 1.1218928e-10 2.9723323e-10 5.667538e-11 ] [ 8.519953e-11 2.4526381e-10 2.9435904e-10 ] [ 2.9479663e-10 1.4022004e-10 3.323544e-11 ] [ 2.8240392e-10 7.570075000000001e-11 2.6904633e-10 ] [ 3.0598393e-10 3.136899e-10 2.0729377e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.49e-05 2.46e-05 5.81e-05 ] [ -2.16e-05 2.79e-05 -6.13e-05 ] [ -4.25e-05 -2.52e-05 1.29e-05 ] [ 2.91e-05 1e-07 -8.8e-06 ] [ -5e-06 -3.3e-05 -4.3e-05 ] [ 2.51e-05 5.6e-06 4.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.387243164992e-14 3.941354487168e-14 9.308646166848001e-14 ] [ -3.460701500928e-14 4.470072772032e-14 -9.821342685504e-14 ] [ -6.8092506384e-14 -4.037485084416e-14 2.066807840832e-14 ] [ 4.662333966527999e-14 1.6021766208e-16 -1.409915426304e-14 ] [ -8.010883104e-15 -5.28718284864e-14 -6.889359469439999e-14 ] [ 4.021463318208e-14 8.972189076479999e-15 6.777207105984e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.893401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.866838874879934e-18 } }