{ "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" [ [ 0.4782146 0.2463157 2.780652 ] [ 1.177721 1.395115 2.585121 ] [ 0.0381624 2.281468 2.997086 ] [ 2.63123 2.94255 0.0860101 ] [ 1.942246 2.110601 1.196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.782146e-11 2.463157e-11 2.780652e-10 ] [ 1.177721e-10 1.395115e-10 2.585121e-10 ] [ 3.81624e-12 2.281468e-10 2.997086e-10 ] [ 2.63123e-10 2.94255e-10 8.601010000000001e-12 ] [ 1.942246e-10 2.110601e-10 1.196975e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -971.2551302 -1662.9103594 245.3725156 ] [ 1901.8608482 920.1416849 -512.1694091 ] [ -946.3255376 771.2076797 342.9874695 ] [ 642.9151052 813.4889113 -1008.8731076 ] [ -627.1952856 -841.9279165 932.6825316 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.5561222624385e-06 -2.664276100316806e-06 3.931301078812034e-07 ] [ 3.047116987000898e-06 1.4742294953703e-06 -8.205858531489709e-07 ] [ -1.516180652008711e-06 1.235610914196755e-06 5.49526504860253e-07 ] [ 1.030063550710613e-06 1.303352914964905e-06 -1.616392906350563e-06 ] [ -1.004877623264299e-06 -1.348917224215155e-06 1.494322146758077e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 1737.2438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.783371400989751e-16 } "relaxed-configuration-positions" { "source-value" [ [ -0.0790859 -0.5054022 2.9213674 ] [ 2.4210736 1.5655032 3.4995925 ] [ -0.6206106 2.7022921 3.1736359 ] [ 3.4301638 3.8595589 -0.5557515 ] [ 1.116033 1.3540977 0.6069998 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.90859e-12 -5.054022e-11 2.9213674e-10 ] [ 2.4210736e-10 1.5655032e-10 3.4995925e-10 ] [ -6.206106000000001e-11 2.702292100000001e-10 3.1736359e-10 ] [ 3.4301638e-10 3.8595589e-10 -5.557515e-11 ] [ 1.116033e-10 1.3540977e-10 6.069998e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.22e-05 -3.34e-05 -1.34e-05 ] [ 1.53e-05 6.8e-06 5.16e-05 ] [ -2.9e-06 2.29e-05 1.24e-05 ] [ -1.89e-05 -1.49e-05 -1.35e-05 ] [ 1.88e-05 1.85e-05 -3.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954655477376e-14 -5.351269913472e-14 -2.146916671872e-14 ] [ 2.451330229824e-14 1.089480102144e-14 8.267231363328e-14 ] [ -4.646312200320001e-15 3.668984461632e-14 1.986699009792e-14 ] [ -3.028113813312e-14 -2.387243164992e-14 -2.16293843808e-14 ] [ 3.012092047104e-14 2.96402674848e-14 -5.944075263168e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.447376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.673854157590702e-18 } }