{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4119858 -2.126599 2.064132 ] [ -2.6611505 -0.9803233 2.2713379 ] [ -2.5279897 -2.5934833 -3.6687164 ] [ 1.5234065 0.4529332 0.8785982 ] [ 0.9045408 -1.4754335 -0.2469803 ] [ 5.8603831 1.8832658 -1.0769612 ] [ 1.3127956 4.8396401 -0.2214101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.068780500061584e-09 -3.407187199616659e-09 3.307104032645146e-09 ] [ -4.263633115530231e-09 -1.570651072085505e-09 3.639084481316968e-09 ] [ -4.050285994963205e-09 -4.155218309695233e-09 -5.877931644425542e-09 ] [ 2.440766278274755e-09 7.256789838241305e-10 1.407669495116963e-09 ] [ 1.449234122319729e-09 -2.363905059245117e-09 -3.957060624581703e-10 ] [ 9.389368791751428e-09 3.017324435512209e-09 -1.725482056148713e-09 ] [ 2.103330418209109e-09 7.753958221306174e-09 -3.547380858289901e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.078879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.056773388487209e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5422957 2.7236642 0.452248 ] [ 1.7809046 4.9279578 1.281007 ] [ 2.0932562 3.0662884 2.8816462 ] [ 4.8909809 2.5484593 0.9978497 ] [ 4.472374 2.8678693 3.2625889 ] [ 4.1079108 4.769877 0.4530484 ] [ 3.6588729 5.112508 2.8824505 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5422957e-10 2.7236642e-10 4.52248e-11 ] [ 1.7809046e-10 4.9279578e-10 1.281007e-10 ] [ 2.0932562e-10 3.0662884e-10 2.8816462e-10 ] [ 4.8909809e-10 2.5484593e-10 9.978497e-11 ] [ 4.472374e-10 2.8678693e-10 3.2625889e-10 ] [ 4.1079108e-10 4.769877e-10 4.530484e-11 ] [ 3.6588729e-10 5.112508e-10 2.8824505e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.07e-05 1.55e-05 -1.15e-05 ] [ 3.27e-05 -6.1e-06 -3.26e-05 ] [ -3.1e-06 -8.6e-06 3.23e-05 ] [ -2.09e-05 2.5e-05 2.46e-05 ] [ 2.58e-05 -1.98e-05 3.5e-06 ] [ -1.47e-05 9.3e-06 4.1e-06 ] [ -9.1e-06 -1.53e-05 -2.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.714328984256e-14 2.48337376224e-14 -1.84250311392e-14 ] [ 5.239117550016001e-14 -9.77327738688e-15 -5.223095783807999e-14 ] [ -4.96674752448e-15 -1.377871893888e-14 5.175030485184e-14 ] [ -3.348549137472e-14 4.005441552e-14 3.941354487168e-14 ] [ 4.133615681664e-14 -3.172309709184e-14 5.6076181728e-15 ] [ -2.355199632576e-14 1.490024257344e-14 6.568924145279999e-15 ] [ -1.457980724928e-14 -2.451330229824e-14 -3.28446207264e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210063337869e-18 } }