{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.0112853 5.4010271 -5.9883757 ] [ -11.6646271 5.2058817 -12.0383415 ] [ -6.3304851 -2.7870546 7.5987758 ] [ -5.3504964 -16.9633229 4.1936072 ] [ 13.3343232 9.1434687 6.2343342 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.603984738396768e-08 8.65339941922078e-09 -9.594435622153394e-09 ] [ -1.868879298394318e-08 8.340742019108197e-09 -1.928754946341251e-08 ] [ -1.014255530910515e-08 -4.465353757802216e-09 1.217458103376466e-08 ] [ -8.572440312381117e-09 -2.717823958537712e-08 6.718899468014164e-09 ] [ 2.136394106124411e-08 1.464945190485035e-08 9.988504583787082e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.16028361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.568026547551687e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.4677793 -0.0004211 2.284987 ] [ 0.8146332 3.1501201 -0.0474411 ] [ 0.3865643 2.3859994 2.3425801 ] [ 1.9487505 0.9967947 0.6984124 ] [ 2.7366487 3.1718161 1.7604073 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.677793e-11 -4.211e-14 2.284987e-10 ] [ 8.146332e-11 3.1501201e-10 -4.74411e-12 ] [ 3.865643000000001e-11 2.3859994e-10 2.3425801e-10 ] [ 1.9487505e-10 9.967947e-11 6.984124e-11 ] [ 2.7366487e-10 3.1718161e-10 1.7604073e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-05 4.14e-05 -5.75e-05 ] [ -5.2e-05 -2.25e-05 -3.99e-05 ] [ -1e-06 -8.1e-06 3e-05 ] [ -7.6e-06 -1.97e-05 3.73e-05 ] [ 4.96e-05 8.8e-06 3.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7623942974e-14 6.633011264759999e-14 -9.212515645499998e-14 ] [ -8.331318496799998e-14 -3.6048974265e-14 -6.392684769659999e-14 ] [ -1.602176634e-15 -1.29776307354e-14 4.806529901999999e-14 ] [ -1.21765424184e-14 -3.15628796898e-14 5.97611884482e-14 ] [ 7.94679610464e-14 1.40991543792e-14 4.82255166834e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318988259117e-18 } }