{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5978098 2.1408442 -2.4395531 ] [ 0.8615968 0.4062196 0.8303868 ] [ 2.8156325 -6.1580557 0.3261001 ] [ -0.3147759 -1.0502984 -0.0603108 ] [ 0.2353564 4.6612903 1.3433771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.764326795136212e-09 3.430010554274422e-09 -3.908594974222265e-09 ] [ 1.380430260889171e-09 6.508355513928264e-10 1.330426328142031e-09 ] [ 4.511140601431005e-09 -9.866292953410514e-09 5.224699605650633e-10 ] [ -5.043265919263206e-10 -1.682763555207585e-09 -9.662855453784719e-11 ] [ 3.770825247423576e-10 7.46821040295085e-09 2.152327400270681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1075327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.459187608533093e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7190658 2.0549321 -0.1236453 ] [ 0.6357022 2.2648715 2.4314376 ] [ 2.5775429 0.5913698 0.8680814 ] [ 1.4880102 0.0753316 2.9505303 ] [ 2.698757 3.1345381 1.1796543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.190658e-11 2.0549321e-10 -1.236453e-11 ] [ 6.357022e-11 2.2648715e-10 2.431437600000001e-10 ] [ 2.5775429e-10 5.913697999999999e-11 8.680814000000001e-11 ] [ 1.4880102e-10 7.53316e-12 2.9505303e-10 ] [ 2.698757e-10 3.1345381e-10 1.1796543e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 2e-07 -3e-07 ] [ -5e-07 6.5e-06 -1e-06 ] [ 4e-06 2.6e-06 -6.5e-06 ] [ -1.2e-06 -6e-06 6.9e-06 ] [ -3e-06 -3.3e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1215236438e-15 3.204353268e-16 -4.806529901999999e-16 ] [ -8.010883169999999e-16 1.0414148121e-14 -1.602176634e-15 ] [ 6.408706535999999e-15 4.165659248399999e-15 -1.0414148121e-14 ] [ -1.9226119608e-15 -9.613059803999999e-15 1.10550187746e-14 ] [ -4.806529901999999e-15 -5.2871828922e-15 1.2817413072e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426961303947e-18 } }