{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.2980174 -10.2772476 -6.2935396 ] [ -18.39743 4.7739401 9.6571009 ] [ 5.9257709 16.8666349 16.771778 ] [ 26.2709272 -15.6100583 4.9272323 ] [ 0.6871957 8.1836703 -4.8805437 ] [ 3.8115536 -3.9369395 -20.1820279 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.931665592680543e-08 -1.646596596655258e-08 -1.008336209227371e-08 ] [ -2.947593247165062e-08 7.648695280335622e-09 1.547238141416037e-08 ] [ 9.49413167441715e-09 2.702332833098893e-08 2.687135082223525e-08 ] [ 4.209066571335504e-08 -2.501007066363776e-08 7.894296461350078e-09 ] [ 1.101008893525274e-09 1.311168533501977e-08 -7.819493077355905e-09 ] [ 6.106782117158582e-09 -6.307672476371642e-09 -3.233517352811609e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.556994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.21076392100782e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.626764 0.0322052 1.1235741 ] [ 0.5601534 1.2436081 3.31144 ] [ 2.7301819 1.1949252 0.4786734 ] [ 2.7138936 -0.037867 2.656224 ] [ 2.3994134 3.580017 0.6437136 ] [ 2.6606024 2.4614903 2.7664374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.26764e-11 3.22052e-12 1.1235741e-10 ] [ 5.601534e-11 1.2436081e-10 3.31144e-10 ] [ 2.7301819e-10 1.1949252e-10 4.786734000000001e-11 ] [ 2.7138936e-10 -3.7867e-12 2.656224e-10 ] [ 2.3994134e-10 3.580017e-10 6.437136e-11 ] [ 2.6606024e-10 2.4614903e-10 2.7664374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001509 -4.64e-05 -8.54e-05 ] [ -1.36e-05 -2.2e-06 9.87e-05 ] [ 7.61e-05 0.0001499 2.39e-05 ] [ 8.75e-05 -4.82e-05 0.0001131 ] [ 3.55e-05 -2.9e-06 -2.76e-05 ] [ -3.47e-05 -5.02e-05 -0.0001227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.417684540706e-13 -7.43409958176e-14 -1.368258845436e-13 ] [ -2.17896022224e-14 -3.5247885948e-15 1.581348337758e-13 ] [ 1.219256418474e-13 2.401662774366e-13 3.82920215526e-14 ] [ 1.40190455475e-13 -7.72249137588e-14 1.812061773054e-13 ] [ 5.6877270507e-14 -4.6463122386e-15 -4.42200750984e-14 ] [ -5.55955291998e-14 -8.04292670268e-14 -1.965870729918e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.043378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.371520853202965e-18 } }