{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0839965 0.9148076 2.3968534 ] [ 0.7763936 -1.1942984 0.1958013 ] [ -2.2665496 0.1854922 -1.0553006 ] [ 2.2010945 -6.9118068 -2.846529 ] [ -0.8636501 -2.7293501 1.9154859 ] [ -0.120363 9.9917984 1.1580834 ] [ -0.8109219 -0.2566429 -1.7643944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.736753849329027e-09 1.465683349250158e-09 3.84018248096499e-09 ] [ 1.243919674458747e-09 -1.913476974738847e-09 3.137082651822471e-10 ] [ -3.631412779003591e-09 2.971912661807578e-10 -1.690777949236213e-09 ] [ 3.526542148071466e-09 -1.107393526244646e-08 -4.560642214229203e-09 ] [ -1.383719998771582e-09 -4.372900920198142e-09 3.068946726452047e-09 ] [ -1.928427846093504e-10 1.600862579622685e-08 1.855454148416575e-09 ] [ -1.299240109474716e-09 -4.111872542743124e-10 -2.826871457550444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.099724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.502072084373266e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8602116 1.8121745 1.1188916 ] [ 3.2228036 0.8031924 2.7977061 ] [ 1.9793359 3.2057945 2.9802854 ] [ 5.2348716 2.2108512 2.0889938 ] [ 3.9930026 2.4659188 4.2043645 ] [ 4.176442 4.3204226 2.8041533 ] [ 3.4909628 3.5145528 0.750565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8602116e-10 1.8121745e-10 1.1188916e-10 ] [ 3.222803600000001e-10 8.031924e-11 2.7977061e-10 ] [ 1.9793359e-10 3.2057945e-10 2.9802854e-10 ] [ 5.2348716e-10 2.2108512e-10 2.0889938e-10 ] [ 3.9930026e-10 2.4659188e-10 4.2043645e-10 ] [ 4.176442e-10 4.3204226e-10 2.8041533e-10 ] [ 3.4909628e-10 3.5145528e-10 7.50565e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.96e-05 -3.39e-05 -1.24e-05 ] [ -3.27e-05 5.45e-05 5.44e-05 ] [ 9.88e-05 -2.89e-05 -5.92e-05 ] [ -2.57e-05 3.4e-06 1.08e-05 ] [ 1.35e-05 -4.02e-05 -5.68e-05 ] [ -3.11e-05 2.31e-05 1.3e-05 ] [ -3.1e-06 2.19e-05 5.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.140266176767999e-14 -5.431378744512e-14 -1.986699009792e-14 ] [ -5.239117550016001e-14 8.731862583360001e-14 8.715840817152e-14 ] [ 1.5829505013504e-13 -4.630290434112001e-14 -9.484885595136001e-14 ] [ -4.117593915456e-14 5.44740051072e-15 1.730350750464e-14 ] [ 2.16293843808e-14 -6.440750015616e-14 -9.100363206143999e-14 ] [ -4.982769290688e-14 3.701027994048e-14 2.08282960704e-14 ] [ -4.96674752448e-15 3.508766799552e-14 8.042926636416e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }