{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -40.2645759 -21.7809748 -7.7871887 ] [ -8.1732736 18.0712783 0.6038035 ] [ 33.7735417 -5.1800694 5.827837 ] [ 5.9943345 2.1063119 -4.7449913 ] [ 8.6699733 6.7834541 6.1005394 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.451096215340711e-08 -3.489696860279395e-08 -1.247645167689794e-08 ] [ -1.309502787732185e-08 2.895337960023037e-08 9.67399851257213e-10 ] [ 5.411117891335389e-08 -8.299386086801484e-09 9.337224191233209e-09 ] [ 9.603982593154858e-09 3.374683682292828e-09 -7.602314126759399e-09 ] [ 1.389082852422023e-08 1.086829156728991e-08 9.774141600949258e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 17.173768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.751540958064318e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4519659 0.3380135 1.6567099 ] [ -0.1113707 2.2721195 1.5391935 ] [ 2.3889661 -0.0338851 2.2037599 ] [ 2.6140919 3.6228237 0.322418 ] [ 2.819559 2.9609793 2.1613716 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.519659e-11 3.380135000000001e-11 1.6567099e-10 ] [ -1.113707e-11 2.2721195e-10 1.5391935e-10 ] [ 2.3889661e-10 -3.38851e-12 2.2037599e-10 ] [ 2.6140919e-10 3.6228237e-10 3.22418e-11 ] [ 2.819559e-10 2.9609793e-10 2.1613716e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2000832 -2.0068576 0.0894605 ] [ 1.6313272 -1.079052 0.0950894 ] [ -1.7250136 1.7299761 -0.5185307 ] [ -0.0015934 -0.0974189 1.0332521 ] [ 1.2953631 1.4533524 -0.6992713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.922745246054851e-09 -3.215340327994798e-09 1.433315215850784e-10 ] [ 2.613674300715126e-09 -1.728831887027481e-09 1.523500135658995e-10 ] [ -2.763776460482043e-09 2.771727261962763e-09 -8.307777647070586e-10 ] [ -2.55290822758272e-12 -1.560822840040532e-10 1.655452358012503e-09 ] [ 2.075400474267013e-09 2.32852723706357e-09 -1.120356128456423e-09 ] ] } "relaxed-potential-energy" { "source-value" -21.938052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.514863402029468e-18 } }