{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3498808 -1.2085197 -2.3358129 ] [ -1.5897453 -1.3138936 1.172638 ] [ -1.0940872 3.8265148 3.0120327 ] [ 1.2498405 -8.0747616 -4.4975335 ] [ 3.5664206 -4.2391981 -1.3611463 ] [ 0.1746591 5.8344555 0.3541789 ] [ -1.9572069 5.1754027 3.6556432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.605708424452271e-10 -1.93626202506869e-09 -3.742384849775779e-09 ] [ -2.547052773671319e-09 -2.105089625482142e-09 1.878773203740492e-09 ] [ -1.752920947398484e-09 6.130752602215183e-09 4.825808412783931e-09 ] [ 2.002465245326877e-09 -1.293719436064045e-08 -7.205843084332239e-09 ] [ 5.714035752336259e-09 -6.791944142717195e-09 -2.180796797315554e-09 ] [ 2.798347289354694e-10 9.347828274212785e-09 5.674571578358226e-10 ] [ -3.135791163083574e-09 8.291909277480512e-09 5.856986117280989e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.907958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.708953523625337e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9667081 2.6136451 1.1408659 ] [ 2.604439 1.4326382 3.4593777 ] [ 1.988498 4.0119757 3.0788085 ] [ 3.9639575 1.3012904 1.1546175 ] [ 5.2199633 1.8883159 3.1012315 ] [ 4.250881 3.9189709 1.6469511 ] [ 3.9991551 3.5637428 4.2903487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9667081e-10 2.6136451e-10 1.1408659e-10 ] [ 2.604439e-10 1.4326382e-10 3.4593777e-10 ] [ 1.988498e-10 4.0119757e-10 3.0788085e-10 ] [ 3.9639575e-10 1.3012904e-10 1.1546175e-10 ] [ 5.2199633e-10 1.8883159e-10 3.1012315e-10 ] [ 4.250881e-10 3.9189709e-10 1.6469511e-10 ] [ 3.9991551e-10 3.5637428e-10 4.2903487e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.09e-05 4.3e-06 -0.0001045 ] [ -0.0001021 -0.0001472 0.0001215 ] [ 5.91e-05 4.35e-05 7.15e-05 ] [ -4.27e-05 -2.15e-05 1.52e-05 ] [ 7.56e-05 5.56e-05 -0.0001018 ] [ 4.71e-05 1.95e-05 -7.7e-06 ] [ -8.79e-05 4.58e-05 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.155079067059998e-14 6.8893595262e-15 -1.67427458253e-13 ] [ -1.635822343314e-13 -2.358404005248e-13 1.94664461031e-13 ] [ 9.468863906939999e-14 6.969468357899999e-14 1.14555629331e-13 ] [ -6.84129422718e-14 -3.4446797631e-14 2.43530848368e-14 ] [ 1.211245535304e-13 8.908102085039999e-14 -1.631015813412e-13 ] [ 7.546251946139999e-14 3.1242444363e-14 -1.23367600818e-14 ] [ -1.408313261286e-13 7.33796898372e-14 9.452842140600001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.729818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.481500666067262e-18 } }