{ "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" [ [ 0.8089267 0.144273 0.3085018 ] [ 0.0391703 1.366973 2.60492 ] [ 1.362051 2.292395 1.899207 ] [ 2.93764 0.2840218 0.2571454 ] [ 1.745173 0.2602682 2.163878 ] [ 2.951376 1.632187 2.170679 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.089267000000001e-11 1.44273e-11 3.085018e-11 ] [ 3.91703e-12 1.366973e-10 2.60492e-10 ] [ 1.362051e-10 2.292395e-10 1.899207e-10 ] [ 2.93764e-10 2.840218e-11 2.571454e-11 ] [ 1.745173e-10 2.602682e-11 2.163878e-10 ] [ 2.951376e-10 1.632187e-10 2.170679e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5694048 -3.6723699 -7.6287819 ] [ -17.2015992 -2.9550037 7.9871135 ] [ -5.0312303 23.0880401 -5.2789532 ] [ 6.5158003 -2.192406 -6.6471357 ] [ -1.305928 -18.8403884 8.0893034 ] [ 22.592362 4.572128 3.4784537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.9231701623313e-09 -5.883785196709634e-09 -1.22226560053622e-08 ] [ -2.756000007861199e-08 -4.734437842517496e-09 1.279676651737606e-08 ] [ -8.06091956052057e-09 3.69911180683129e-08 -8.457815399337347e-09 ] [ 1.043946290646163e-08 -3.512621636501645e-09 -1.064988541382504e-08 ] [ -2.092327310048102e-09 -3.018562982127152e-08 1.296049278603795e-08 ] [ 3.619695420505033e-08 7.325356588905063e-09 5.573097194675257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 4.3838264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.02366416772583e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6864131 0.9746539 0.023951 ] [ 0.0277667 0.7748988 2.3689163 ] [ 1.2242119 2.7626437 1.6008014 ] [ 2.6755858 -0.0401264 0.4962841 ] [ 2.0169572 -0.2398376 2.8412683 ] [ 3.2134024 1.7478856 2.0731101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.864131e-11 9.746539e-11 2.3951e-12 ] [ 2.77667e-12 7.748988e-11 2.3689163e-10 ] [ 1.2242119e-10 2.7626437e-10 1.6008014e-10 ] [ 2.6755858e-10 -4.01264e-12 4.962841e-11 ] [ 2.0169572e-10 -2.398376e-11 2.8412683e-10 ] [ 3.2134024e-10 1.7478856e-10 2.0731101e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1.96e-05 -2.44e-05 ] [ -2.2e-05 3.7e-06 3.98e-05 ] [ 4.6e-06 4.19e-05 -9e-07 ] [ 2.29e-05 -1.7e-06 5.4e-06 ] [ 5.2e-06 -1.63e-05 -2.12e-05 ] [ -1.07e-05 -8e-06 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -3.140266176767999e-14 -3.909310954752e-14 ] [ -3.52478856576e-14 5.928053496960001e-15 6.376662950784e-14 ] [ 7.370012455680001e-15 6.713120041152e-14 -1.44195895872e-15 ] [ 3.668984461632e-14 -2.72370025536e-15 8.65175375232e-15 ] [ 8.33131842816e-15 -2.611547891904e-14 -3.396614436096001e-14 ] [ -1.714328984256e-14 -1.28174129664e-14 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }