{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4477891 -3.8694018 0.7450575 ] [ -0.8690886 5.0303532 -0.5963691 ] [ 1.2023216 -1.0077776 -1.0704308 ] [ 4.082452 -3.0642849 1.6052226 ] [ 1.5507659 -0.8254485 -4.0171234 ] [ -1.717785 0.0748782 -2.6389216 ] [ 0.1991232 3.6616814 5.9725647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.126143710269073e-09 -6.199465100441437e-09 1.193713707651696e-09 ] [ -1.392433436323803e-09 8.059514291406467e-09 -9.554886293875374e-10 ] [ 1.926331558202849e-09 -1.614637709685934e-09 -1.715019201944241e-09 ] [ 6.540809149938201e-09 -4.909525626250467e-09 2.57185012089979e-09 ] [ 2.48460086931387e-09 -1.322514288374429e-09 -6.436141194348607e-09 ] [ -2.752194966560928e-09 1.199681014475866e-10 -4.228018491644129e-09 ] [ 3.190305356988826e-10 5.866660331898213e-09 9.569103528555368e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.616199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.943949853076034e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8202141 1.0183616 4.061606 ] [ 2.0364754 5.5007588 1.9141488 ] [ 2.8757115 3.254141 0.9866994 ] [ 1.4258766 3.2961163 3.0135713 ] [ 3.8165101 1.8681222 2.801001 ] [ 4.0067382 4.3623684 2.9717662 ] [ 3.064801 3.1133687 4.8824022 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8202141e-10 1.0183616e-10 4.061606000000001e-10 ] [ 2.0364754e-10 5.5007588e-10 1.9141488e-10 ] [ 2.8757115e-10 3.254141e-10 9.866994e-11 ] [ 1.4258766e-10 3.2961163e-10 3.0135713e-10 ] [ 3.8165101e-10 1.8681222e-10 2.801001e-10 ] [ 4.0067382e-10 4.3623684e-10 2.9717662e-10 ] [ 3.064801e-10 3.1133687e-10 4.8824022e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.26e-05 6.51e-05 -4.41e-05 ] [ 5.9e-05 6.52e-05 -1.71e-05 ] [ -2.38e-05 -9.13e-05 -8.1e-06 ] [ 0.0001263 -8.5e-05 6.04e-05 ] [ -0.0001378 0.0001147 5.25e-05 ] [ -5.74e-05 1.43e-05 4.2e-06 ] [ -3.9e-05 -8.3e-05 -4.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1631802267008e-13 1.0430169801408e-13 -7.065598897728e-14 ] [ 9.45284206272e-14 1.0446191567616e-13 -2.739722021568e-14 ] [ -3.813180357504e-14 -1.4627872547904e-13 -1.297763062848e-14 ] [ 2.0235490720704e-13 -1.36185012768e-13 9.677146789632e-14 ] [ -2.2077993834624e-13 1.8376965840576e-13 8.4114272592e-14 ] [ -9.196493803392e-14 2.291112567744e-14 6.72914180736e-15 ] [ -6.248488821120001e-14 -1.329806595264e-13 -7.674426013632e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.675671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.273913642035256e-18 } }