{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.6079 1.726733 2.75301 ] [ 2.002918 3.986459 1.396167 ] [ 4.133267 4.619556 1.499098 ] [ 3.466505 3.469363 3.287809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6079e-10 1.726733e-10 2.75301e-10 ] [ 2.002918e-10 3.986459e-10 1.396167e-10 ] [ 4.133267e-10 4.619556e-10 1.499098e-10 ] [ 3.466505e-10 3.469363e-10 3.287809000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5586641 1.0364577 -0.23326 ] [ -1.658763 -1.1981137 0.5277069 ] [ 2.2864824 1.4569414 -1.3678595 ] [ -1.1863835 -1.2952854 1.0734126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.950785599002733e-10 1.66058829538814e-09 -3.73723718567808e-10 ] [ -2.657631298048071e-09 -1.919589759200185e-09 8.454796578148435e-10 ] [ 3.663348645150674e-09 2.334277448955622e-09 -2.191552511439178e-09 ] [ -1.900795907002877e-09 -2.075275985143576e-09 1.719796572192142e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1694182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.308885084557802e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6572058 1.9084692 2.7309278 ] [ 1.9460533 3.8525038 1.403256 ] [ 4.1660742 4.683151 1.4866196 ] [ 3.4412567 3.3579871 3.3152805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6572058e-10 1.9084692e-10 2.7309278e-10 ] [ 1.9460533e-10 3.8525038e-10 1.403256e-10 ] [ 4.1660742e-10 4.683151e-10 1.4866196e-10 ] [ 3.4412567e-10 3.3579871e-10 3.3152805e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.6e-06 -1.2e-05 -1.72e-05 ] [ 4e-07 1.07e-05 1.53e-05 ] [ -6.2e-06 -2.58e-05 1.1e-06 ] [ 2.2e-06 2.72e-05 7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.76783583488e-15 -1.92261194496e-14 -2.755743787776e-14 ] [ 6.408706483200001e-16 1.714328984256e-14 2.451330229824e-14 ] [ -9.93349504896e-15 -4.133615681664e-14 1.76239428288e-15 ] [ 3.52478856576e-15 4.357920408576e-14 1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.278678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.64682575843313e-18 } }