{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6602033 -3.3534013 0.8363646 ] [ -5.6971782 1.7925918 -9.0998087 ] [ -4.3985505 -1.9458393 4.2357103 ] [ 5.7538295 0.8014531 -0.2655148 ] [ 1.9555403 -0.742384 -0.6327209 ] [ 0.407205 -0.6101751 0.8514168 ] [ 7.6393571 4.0577548 4.0745527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.068645470949693e-09 -5.372741207285223e-09 1.340003819624756e-09 ] [ -9.127885791774178e-09 2.872048696260001e-09 -1.457950087300991e-08 ] [ -7.047254834569016e-09 -3.117578259978916e-09 6.786356071053129e-09 ] [ 9.218651180919902e-09 1.284069430066865e-09 -4.254016085411831e-10 ] [ 3.13312097550535e-09 -1.189430298255456e-09 -1.013730641823451e-09 ] [ 6.524143362479699e-10 -9.776082878686134e-10 1.364120102755051e-09 ] [ 1.2239599444402e-08 6.501239927061342e-09 6.528153129941611e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.821283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.015501984450142e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1442432 1.5748788 3.0641318 ] [ 1.8507685 3.9617069 2.37568 ] [ 1.5186354 3.2905717 4.7347526 ] [ 4.5143756 1.8140066 2.6010123 ] [ 3.7810628 2.2952105 4.8637279 ] [ 4.2391049 4.05277 1.9552699 ] [ 3.4875825 4.6820414 4.1752755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1442432e-10 1.5748788e-10 3.0641318e-10 ] [ 1.8507685e-10 3.9617069e-10 2.37568e-10 ] [ 1.5186354e-10 3.2905717e-10 4.734752600000001e-10 ] [ 4.5143756e-10 1.8140066e-10 2.6010123e-10 ] [ 3.7810628e-10 2.2952105e-10 4.8637279e-10 ] [ 4.2391049e-10 4.05277e-10 1.9552699e-10 ] [ 3.4875825e-10 4.6820414e-10 4.1752755e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 -1.3e-06 4.8e-06 ] [ -3.9e-06 -3.5e-06 -4.1e-06 ] [ -8.5e-06 -1e-06 -4e-07 ] [ -3.9e-06 7.2e-06 -9e-07 ] [ -1.5e-06 1.12e-05 1e-07 ] [ 2.9e-06 5.6e-06 -5e-07 ] [ 1.38e-05 -1.81e-05 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-15 -2.0828296242e-15 7.690447843199998e-15 ] [ -6.248488872599999e-15 -5.607618218999999e-15 -6.568924199399999e-15 ] [ -1.3618501389e-14 -1.602176634e-15 -6.408706536e-16 ] [ -6.248488872599999e-15 1.15356717648e-14 -1.4419589706e-15 ] [ -2.403264951e-15 1.79443783008e-14 1.602176634e-16 ] [ 4.6463122386e-15 8.972189150399999e-15 -8.010883169999999e-16 ] [ 2.21100375492e-14 -2.899939707539999e-14 1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043210034805e-18 } }