{ "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" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.6228838 -15.5837265 -14.9512488 ] [ 32.6925083 -49.4589277 12.2697144 ] [ -7.8393235 25.7628241 -10.2734073 ] [ -46.0601987 52.125533 18.1680412 ] [ 36.800141 -1.9751107 -28.2688679 ] [ 12.0297568 -10.8705922 23.0557684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.425673862343507e-08 -2.496788226324141e-08 -2.395454127912406e-08 ] [ 5.237917247356996e-08 -7.924193765077752e-08 1.96582495555731e-08 ] [ -1.255998083458803e-08 4.12765944588028e-08 -1.645981299201605e-08 ] [ -7.379657350654256e-08 8.351431031933887e-08 2.910841085637118e-08 ] [ 5.896032555234354e-08 -3.164476187031923e-09 -4.529171924586359e-08 ] [ 1.927379509886982e-08 -1.741660867709084e-08 3.693941310505943e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 33.601965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.383628273593988e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.730944 0.7154931 0.2000327 ] [ 0.6696526 0.4715878 2.6653069 ] [ 0.6019636 3.1585298 0.4488182 ] [ 0.5411673 2.9166353 2.8937291 ] [ 3.1587936 1.0908325 0.307817 ] [ 3.0980064 0.8489559 2.7527293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.309440000000001e-11 7.154931e-11 2.000327e-11 ] [ 6.696526e-11 4.715878e-11 2.6653069e-10 ] [ 6.019636e-11 3.1585298e-10 4.488182e-11 ] [ 5.411673e-11 2.9166353e-10 2.8937291e-10 ] [ 3.1587936e-10 1.0908325e-10 3.07817e-11 ] [ 3.0980064e-10 8.489559e-11 2.7527293e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 3.8e-06 -1.04e-05 ] [ -8.2e-06 -1.97e-05 6.2e-06 ] [ -1.56e-05 -4e-07 -1.27e-05 ] [ -1.6e-06 2.91e-05 7e-06 ] [ 8.2e-06 6.1e-06 -8.9e-06 ] [ 1.97e-05 -1.88e-05 1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.84522388992e-15 6.08827115904e-15 -1.666263685632e-14 ] [ -1.313784829056e-14 -3.156287942976e-14 9.93349504896e-15 ] [ -2.499395528448e-14 -6.408706483200001e-16 -2.034764308416e-14 ] [ -2.56348259328e-15 4.662333966527999e-14 1.12152363456e-14 ] [ 1.313784829056e-14 9.77327738688e-15 -1.425937192512e-14 ] [ 3.156287942976e-14 -3.012092047104e-14 3.012092047104e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.005221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.56431908969372e-18 } }