{ "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" [ [ 1.492003 2.387549 2.170669 ] [ 2.788135 3.420279 0.7006935 ] [ 2.516882 3.82705 3.771673 ] [ 3.610971 1.743132 2.445693 ] [ 4.42605 4.234183 2.406002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.492003e-10 2.387549e-10 2.170669e-10 ] [ 2.788135e-10 3.420279e-10 7.006935e-11 ] [ 2.516882e-10 3.82705e-10 3.771673e-10 ] [ 3.610971e-10 1.743132e-10 2.445693e-10 ] [ 4.42605e-10 4.234183e-10 2.406002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.7300834 -1.7588622 0.7956556 ] [ 0.6971298 3.6951571 -9.1400648 ] [ -2.0162242 3.9116509 6.9049307 ] [ 6.4520993 -8.3616049 1.6201764 ] [ 2.5970785 2.5136592 -0.1806979 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.238495890031418e-08 -2.818007896048854e-09 1.274780800528597e-09 ] [ 1.11692506722298e-09 5.920294315803127e-09 -1.464399813515703e-08 ] [ -3.230347275531183e-09 6.26715562071128e-09 1.106291853578418e-08 ] [ 1.033740265354005e-08 -1.339676788314672e-08 2.595808749651909e-09 ] [ 4.160978455082333e-09 4.027326002898832e-09 -2.895099508076564e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.826722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.253979100590102e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5400629 2.3071625 2.2261161 ] [ 2.67935 3.7805572 0.5630524 ] [ 2.3401806 4.0863197 3.7846606 ] [ 3.8809011 1.5004285 2.5491286 ] [ 4.3935464 3.9377251 2.3717729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5400629e-10 2.3071625e-10 2.2261161e-10 ] [ 2.67935e-10 3.7805572e-10 5.630524e-11 ] [ 2.3401806e-10 4.0863197e-10 3.7846606e-10 ] [ 3.8809011e-10 1.5004285e-10 2.5491286e-10 ] [ 4.3935464e-10 3.9377251e-10 2.3717729e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.84e-05 5.1e-06 4.3e-06 ] [ -9.4e-06 5e-06 1.26e-05 ] [ -1.02e-05 9.3e-06 -1.16e-05 ] [ -1.21e-05 1.39e-05 -6.8e-06 ] [ -1.68e-05 -3.34e-05 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.754534844671999e-14 8.17110076608e-15 6.889359469440001e-15 ] [ -1.506046023552e-14 8.010883104e-15 2.018742542208e-14 ] [ -1.634220153216e-14 1.490024257344e-14 -1.858524880128e-14 ] [ -1.938633711168e-14 2.227025502912e-14 -1.089480102144e-14 ] [ -2.691656722944e-14 -5.351269913472e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }