{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 48.4370739 -25.7269769 -145.4817475 ] [ -190.7034362 -222.1681814 -77.3730011 ] [ 501.6553802 -175.416813 -79.0663978 ] [ -467.3106472 273.360375 -38.6762774 ] [ 107.9216293 149.9515963 340.5974238 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.760474738254188e-08 -4.121916091304167e-08 -2.330874545976289e-07 ] [ -3.055405869858644e-07 -3.559526661247334e-07 -1.239652134435527e-07 ] [ 8.037405218549753e-07 -2.810487166838455e-07 -1.266783340460326e-07 ] [ -7.487141935947569e-07 4.379716018781207e-07 -6.196622742985541e-08 ] [ 1.729095113431043e-07 2.402489418434998e-07 5.456972295170695e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 297.18108 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.761365785200945e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0142085 3.4230904 2.721837 ] [ 1.4508552 -0.1470557 1.4135633 ] [ 3.7509366 1.9677404 0.4767191 ] [ 0.8636843 2.3957877 0.0332176 ] [ 3.0493182 1.465916 3.3002029 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0142085e-10 3.4230904e-10 2.721837e-10 ] [ 1.4508552e-10 -1.470557e-11 1.4135633e-10 ] [ 3.7509366e-10 1.9677404e-10 4.767191e-11 ] [ 8.636842999999999e-11 2.3957877e-10 3.32176e-12 ] [ 3.0493182e-10 1.465916e-10 3.3002029e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.07e-05 -2.02e-05 1.32e-05 ] [ -1e-05 -4.3e-06 -2.8e-06 ] [ 1.7e-05 9e-06 -1e-06 ] [ -8.6e-06 -1.02e-05 -2.1e-06 ] [ -2.9e-05 2.58e-05 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.918682225856e-14 -3.236396774016e-14 2.114873139456e-14 ] [ -1.6021766208e-14 -6.889359469440001e-15 -4.48609453824e-15 ] [ 2.72370025536e-14 1.44195895872e-14 -1.6021766208e-15 ] [ -1.377871893888e-14 -1.634220153216e-14 -3.36457090368e-15 ] [ -4.64631220032e-14 4.133615681664e-14 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }