{ "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" [ [ -4.792744 -2.3501842 1.6842532 ] [ 1.9134837 2.676016 -5.8926253 ] [ -1.1494095 -9.5140531 -7.7845901 ] [ -3.5346693 2.866446 2.0776098 ] [ 6.3513504 7.2655633 9.1235059 ] [ 1.2119887 -0.9437879 0.7918465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.678822386279476e-09 -3.765410179813552e-09 2.698471100547587e-09 ] [ 3.065738848421881e-09 4.287450272086733e-09 -9.441026490794587e-09 ] [ -1.841557028625418e-09 -1.524319344586976e-08 -1.247228826073113e-08 ] [ -5.663164514719501e-09 4.592552765985677e-09 3.328697848704964e-09 ] [ 1.017598512138873e-08 1.16407156562025e-08 1.461746785271086e-08 ] [ 1.941819959813785e-09 -1.512114908373928e-09 1.268677949562307e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.9176944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.428772147911908e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5857389 1.1296142 3.15924 ] [ 2.9524514 3.1238753 1.6465607 ] [ 2.7707753 0.657897 2.3908795 ] [ 0.8591287 3.4771075 3.1166864 ] [ 4.4672968 2.1079539 3.5469101 ] [ 3.0864448 4.1443978 4.0711774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.857389e-11 1.1296142e-10 3.15924e-10 ] [ 2.952451400000001e-10 3.1238753e-10 1.6465607e-10 ] [ 2.7707753e-10 6.57897e-11 2.3908795e-10 ] [ 8.591287e-11 3.4771075e-10 3.1166864e-10 ] [ 4.4672968e-10 2.1079539e-10 3.5469101e-10 ] [ 3.0864448e-10 4.1443978e-10 4.0711774e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-06 3.4e-06 -1e-06 ] [ -7e-07 -1.2e-05 -1.4e-06 ] [ -6.2e-06 1.6e-05 3e-06 ] [ -5e-06 5.1e-06 -7e-07 ] [ 1e-05 2.3e-06 6e-07 ] [ -6.5e-06 -1.48e-05 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.345828361472e-14 5.44740051072e-15 -1.6021766208e-15 ] [ -1.12152363456e-15 -1.92261194496e-14 -2.24304726912e-15 ] [ -9.93349504896e-15 2.56348259328e-14 4.8065298624e-15 ] [ -8.010883104e-15 8.17110076608e-15 -1.12152363456e-15 ] [ 1.6021766208e-14 3.68500622784e-15 9.6130597248e-16 ] [ -1.04141480352e-14 -2.371221398784e-14 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.060752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252780812526684e-18 } }