{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0455015 -0.4879296 -0.4789115 ] [ -1.2614987 -1.0176598 1.275189 ] [ -0.5279093 0.2457887 -0.2847695 ] [ 0.5393156 -0.5961536 -3.3915273 ] [ 0.7955197 -3.3096907 2.8786324 ] [ -1.4853156 3.9936629 -1.4061124 ] [ 1.8943868 1.1719821 1.4074993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.290143951133121e-11 -7.817493977162958e-10 -7.673008087322593e-10 ] [ -2.021143724309593e-09 -1.630470739488004e-09 2.043078002901331e-09 ] [ -8.458039383628934e-10 3.93796908796825e-10 -4.562510352169056e-10 ] [ 8.640788455527245e-10 -9.551433603257548e-10 -5.433825748864948e-09 ] [ 1.27456306472583e-09 -5.302709061619187e-09 4.612077531157394e-09 ] [ -2.379737928829525e-09 6.398553329736328e-09 -2.252840413496978e-09 ] [ 3.035142241712125e-09 1.877722320616088e-09 2.255062472252366e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.488627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.481551606769164e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1542403 1.5105842 1.788353 ] [ 1.7936377 2.5567627 4.4845951 ] [ 1.3992936 2.9045687 2.23498 ] [ 4.5897513 3.2643288 1.4947877 ] [ 3.6887141 1.3264725 4.0026059 ] [ 2.7830102 4.6845983 1.7309355 ] [ 5.2968608 2.9518018 3.6718438 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1542403e-10 1.5105842e-10 1.788353e-10 ] [ 1.7936377e-10 2.5567627e-10 4.4845951e-10 ] [ 1.3992936e-10 2.9045687e-10 2.23498e-10 ] [ 4.5897513e-10 3.2643288e-10 1.4947877e-10 ] [ 3.6887141e-10 1.3264725e-10 4.0026059e-10 ] [ 2.7830102e-10 4.6845983e-10 1.7309355e-10 ] [ 5.296860800000001e-10 2.9518018e-10 3.6718438e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.26e-05 4.5e-06 -3.63e-05 ] [ -2.9e-06 -6e-07 1.05e-05 ] [ 1.37e-05 -2.13e-05 1.4e-06 ] [ -3.2e-06 9e-06 1.92e-05 ] [ -7.2e-06 -1.08e-05 3.16e-05 ] [ 4.3e-06 1.4e-05 -1.81e-05 ] [ 1.79e-05 5.2e-06 -8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.620919163008e-14 7.2097947936e-15 -5.815901133504e-14 ] [ -4.646312200320001e-15 -9.6130597248e-16 1.68228545184e-14 ] [ 2.194981970496e-14 -3.412636202304e-14 2.24304726912e-15 ] [ -5.126965186560001e-15 1.44195895872e-14 3.076179111936e-14 ] [ -1.153567166976e-14 -1.730350750464e-14 5.062878121728e-14 ] [ 6.889359469440001e-15 2.24304726912e-14 -2.899939683648e-14 ] [ 2.867896151232001e-14 8.33131842816e-15 -1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }