{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.7638193 18.0947801 15.345831 ] [ -17.7862313 -16.8733103 -14.3252539 ] [ -16.840038 3.7046644 -52.2137277 ] [ 16.3985239 -16.6108615 52.9858791 ] [ 2.4639261 11.6847273 -1.7927285 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.525642294505823e-08 2.899103387358818e-08 2.458673185751285e-08 ] [ -2.849668419577944e-08 -2.703402350089153e-08 -2.295158707469737e-08 ] [ -2.698071539927209e-08 5.935526738491629e-09 -8.365561449497856e-08 ] [ 2.627333182467055e-08 -2.661353416591019e-08 8.489273742596894e-08 ] [ 3.947644825322747e-09 1.872099705472191e-08 -2.872267713805868e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.6498537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.225641685165845e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7191567 3.7130042 2.3309692 ] [ -0.011791 1.2344744 2.287959 ] [ 2.1113441 0.7671389 1.0881595 ] [ 3.5133798 -0.4004065 2.6437259 ] [ 2.901098 3.1212443 1.0786964 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.191567e-11 3.7130042e-10 2.3309692e-10 ] [ -1.1791e-12 1.2344744e-10 2.287959e-10 ] [ 2.1113441e-10 7.671389e-11 1.0881595e-10 ] [ 3.5133798e-10 -4.004065e-11 2.6437259e-10 ] [ 2.901098e-10 3.1212443e-10 1.0786964e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 3.4e-06 6.5e-06 ] [ 1.47e-05 1.41e-05 -2.09e-05 ] [ -4.3e-06 -1.13e-05 2.68e-05 ] [ 7.5e-06 -1.28e-05 -6e-06 ] [ -1.19e-05 6.6e-06 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999999e-15 5.4474005556e-15 1.0414148121e-14 ] [ 2.35519965198e-14 2.25906905394e-14 -3.34854916506e-14 ] [ -6.8893595262e-15 -1.81045959642e-14 4.293833379119999e-14 ] [ 1.2016324755e-14 -2.05078609152e-14 -9.613059803999999e-15 ] [ -1.90659019446e-14 1.05743657844e-14 -1.02539304576e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }