{ "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" [ [ 1.198213 1.350624 3.055818 ] [ 2.6169 3.019665 1.923407 ] [ 3.04509 0.4771157 2.258597 ] [ 0.8976629 3.617369 3.27072 ] [ 3.817629 1.77083 3.542328 ] [ 3.146341 4.405242 3.880584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.198213e-10 1.350624e-10 3.055818e-10 ] [ 2.6169e-10 3.019665e-10 1.923407e-10 ] [ 3.04509e-10 4.771157e-11 2.258597e-10 ] [ 8.976629000000001e-11 3.617369e-10 3.27072e-10 ] [ 3.817629e-10 1.77083e-10 3.542328e-10 ] [ 3.146341e-10 4.405242e-10 3.880584e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8453943 -1.0253489 1.1406441 ] [ 1.7494185 1.7051516 -3.0118667 ] [ -1.389153 -6.7156034 -5.7411509 ] [ -1.1095897 1.2609206 1.3879507 ] [ 4.9147499 5.6108164 6.2303277 ] [ -0.3200314 -0.8359363 -0.0059048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.161000845217582e-09 -1.642790035742997e-09 1.827513309673457e-09 ] [ 2.802877420695005e-09 2.731954028439713e-09 -4.825542411706048e-09 ] [ -2.225668459314182e-09 -1.075958276204499e-08 -9.198337748464879e-09 ] [ -1.777758676020486e-09 2.020217506005108e-09 2.223742162362995e-09 ] [ 7.87429738685914e-09 8.98951885968122e-09 9.982085380862638e-09 ] [ -5.127468270018931e-10 -1.339317596338055e-09 -9.46053251049984e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -14.566654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.33383524820828e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8088909 1.1685817 3.20712 ] [ 2.6582228 3.1639551 1.4535947 ] [ 2.9273585 0.999991 2.3025503 ] [ 0.9246778 3.4554954 3.2129747 ] [ 4.1994123 1.9034689 4.0055319 ] [ 3.2032735 3.9493536 3.7496823 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.088909e-11 1.1685817e-10 3.20712e-10 ] [ 2.6582228e-10 3.1639551e-10 1.4535947e-10 ] [ 2.9273585e-10 9.99991e-11 2.3025503e-10 ] [ 9.246778e-11 3.4554954e-10 3.2129747e-10 ] [ 4.1994123e-10 1.9034689e-10 4.0055319e-10 ] [ 3.2032735e-10 3.9493536e-10 3.7496823e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.71e-05 -1.1e-06 -5.82e-05 ] [ 1e-06 3.32e-05 6.01e-05 ] [ -3.15e-05 -3.77e-05 4.21e-05 ] [ 3.73e-05 -2.84e-05 3.66e-05 ] [ -2.66e-05 -7.1e-06 -9.8e-06 ] [ -7.4e-06 4.12e-05 -7.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.341898642368e-14 -1.76239428288e-15 -9.324667933055999e-14 ] [ 1.6021766208e-15 5.319226381056e-14 9.629081491008e-14 ] [ -5.04685635552e-14 -6.040205860416e-14 6.745163573568001e-14 ] [ 5.976118795584e-14 -4.550181603071999e-14 5.863966432128e-14 ] [ -4.261789811328e-14 -1.137545400768e-14 -1.570133088384e-14 ] [ -1.185610699392e-14 6.600967677696001e-14 -1.1359432241472e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }