{ "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" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -35.0827067 -36.4044 14.2354143 ] [ -12.1201046 13.5755069 4.6602564 ] [ 39.3924802 -22.6743008 -37.0123751 ] [ 28.0272975 -1.9143625 44.6947663 ] [ -20.2169664 47.4175563 -26.5780618 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.620869246912353e-08 -5.832627857425153e-08 2.2807647978862e-08 ] [ -1.941854823177053e-08 2.175035977068909e-08 7.466553851013573e-09 ] [ 6.311371081176691e-08 -3.632823463474675e-08 -5.930036206550006e-08 ] [ 4.490468079870629e-08 -3.06714684123624e-09 7.160890963797971e-08 ] [ -3.239115090957914e-08 7.597130011932775e-08 -4.258274924213756e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 46.914052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.516459730139548e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5087117 0.4485572 2.8110575 ] [ -0.2303235 2.1972993 1.4225845 ] [ 3.2231878 1.1298616 0.2321574 ] [ 2.6430961 -0.2111629 2.0753274 ] [ 1.4473166 2.6183722 -0.1712626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.087117e-11 4.485572e-11 2.8110575e-10 ] [ -2.303235e-11 2.1972993e-10 1.4225845e-10 ] [ 3.2231878e-10 1.1298616e-10 2.321574e-11 ] [ 2.6430961e-10 -2.111629e-11 2.0753274e-10 ] [ 1.4473166e-10 2.6183722e-10 -1.712626e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 1e-06 -2e-07 ] [ -1.4e-06 7e-07 9e-07 ] [ 4.5e-06 1.6e-06 -5.3e-06 ] [ -3.6e-06 8.4e-06 -5.6e-06 ] [ 3.5e-06 -1.17e-05 1.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 1.6021766208e-15 -3.2043532416e-16 ] [ -2.24304726912e-15 1.12152363456e-15 1.44195895872e-15 ] [ 7.2097947936e-15 2.56348259328e-15 -8.491536090240001e-15 ] [ -5.76783583488e-15 1.345828361472e-14 -8.972189076479999e-15 ] [ 5.6076181728e-15 -1.874546646336e-14 1.634220153216e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }