{ "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" [ [ 0.0562169 0.1968178 1.270009 ] [ 0.319021 0.1442605 2.935142 ] [ 0.1524012 2.469722 2.823059 ] [ 2.088827 0.2993275 0.454611 ] [ 2.473305 0.2789971 2.995912 ] [ 2.138376 2.393894 2.931206 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.62169e-12 1.968178e-11 1.270009e-10 ] [ 3.19021e-11 1.442605e-11 2.935142e-10 ] [ 1.524012e-11 2.469722e-10 2.823059e-10 ] [ 2.088827e-10 2.993275e-11 4.54611e-11 ] [ 2.473305e-10 2.789971e-11 2.995912e-10 ] [ 2.138376e-10 2.393894e-10 2.931206e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -102.0605807 15.7101447 -598.3736971 ] [ 92.0519278 -7.8233115 597.9512173 ] [ -110.8008695 -7.3284534 -3.4521821 ] [ 7.2948426 -0.0959635 0.6332111 ] [ 2.4880706 -23.5059369 -2.5851643 ] [ 111.0266092 23.0435205 5.8266151 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.635190763028117e-07 2.517042654772503e-08 -9.587003479952808e-07 ] [ 1.474834466207296e-07 -1.253432678253578e-08 9.580234607369605e-07 ] [ -1.775225626772118e-07 -1.174147670410227e-08 -5.531005451364248e-09 ] [ 1.168762626613589e-08 -1.537504761501408e-10 1.014516020451051e-09 ] [ 3.986328546219828e-09 -3.766066255118002e-08 -4.141889802386798e-09 ] [ 1.778842375469382e-07 3.691978980602553e-08 9.335266491620255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 110.91371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.777033530881912e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.1928809 -0.2949647 0.6004838 ] [ 0.057013 0.2493786 3.0573386 ] [ -0.023806 2.7421329 3.4751065 ] [ 2.3225506 -0.1650856 0.3152466 ] [ 2.5736558 0.3794307 2.7719396 ] [ 2.4916145 2.872127 3.1898239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.928809e-11 -2.949647000000001e-11 6.004838e-11 ] [ 5.7013e-12 2.493786e-11 3.0573386e-10 ] [ -2.3806e-12 2.7421329e-10 3.4751065e-10 ] [ 2.3225506e-10 -1.650856e-11 3.152466e-11 ] [ 2.5736558e-10 3.794307e-11 2.7719396e-10 ] [ 2.4916145e-10 2.872127e-10 3.1898239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 -1.96e-05 2.34e-05 ] [ -1.99e-05 1.51e-05 -2.37e-05 ] [ -4.9e-06 6.8e-06 1.4e-05 ] [ 1.23e-05 7.9e-06 -2.1e-06 ] [ 4.7e-06 -2.6e-06 -1.46e-05 ] [ 5.7e-06 -7.6e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 -3.140266176767999e-14 3.749093292672001e-14 ] [ -3.188331475392e-14 2.419286697408e-14 -3.797158591296e-14 ] [ -7.850665441919999e-15 1.089480102144e-14 2.24304726912e-14 ] [ 1.970677243584e-14 1.265719530432e-14 -3.36457090368e-15 ] [ 7.53023011776e-15 -4.16565921408e-15 -2.339177866368e-14 ] [ 9.13240673856e-15 -1.217654231808e-14 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.800112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.172327653562153e-18 } }