{ "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" [ [ 2.051273 2.837998 1.545633 ] [ 2.498541 2.310424 3.735737 ] [ 1.453493 4.519355 3.131974 ] [ 4.173987 2.427158 6.121254 ] [ 4.520065 2.264664 3.31985 ] [ 3.501394 4.313188 2.351729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.051273e-10 2.837998e-10 1.545633e-10 ] [ 2.498541e-10 2.310424e-10 3.735737e-10 ] [ 1.453493e-10 4.519355e-10 3.131974e-10 ] [ 4.173987e-10 2.427158e-10 6.121254e-10 ] [ 4.520065e-10 2.264664e-10 3.31985e-10 ] [ 3.501394e-10 4.313188e-10 2.351729e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3192145 -4.6952479 -2.8108566 ] [ -2.9760591 -0.006519 -0.6046362 ] [ -2.655 3.5173389 3.6359813 ] [ 0.0 0.0 0.0 ] [ 3.2224698 -0.3234482 -0.0487847 ] [ 2.7278038 1.5078763 -0.1717038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.114380089203617e-10 -7.522616414240297e-09 -4.503488728941378e-09 ] [ -4.768172312139089e-09 -1.04445893909952e-11 -9.687339837293529e-10 ] [ -4.253778928224e-09 5.635398153010389e-09 5.825484232525991e-09 ] [ 0.0 0.0 0.0 ] [ 5.162965774794052e-09 -5.182211440798427e-10 -7.816170579274176e-11 ] [ 4.370423474489398e-09 2.415884154918407e-09 -2.750998140625191e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.02202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.125051627479002e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.357909 2.7460824 1.4724764 ] [ 3.3518455 1.2088232 2.6936827 ] [ 1.6451041 6.5530098 3.0973436 ] [ 4.8484285 2.1915281 6.5321385 ] [ 4.2541264 1.1263493 4.6991938 ] [ 1.7413396 4.8469943 1.711342 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.357909e-10 2.7460824e-10 1.4724764e-10 ] [ 3.3518455e-10 1.2088232e-10 2.6936827e-10 ] [ 1.6451041e-10 6.5530098e-10 3.0973436e-10 ] [ 4.8484285e-10 2.1915281e-10 6.5321385e-10 ] [ 4.2541264e-10 1.1263493e-10 4.6991938e-10 ] [ 1.7413396e-10 4.8469943e-10 1.711342e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1206792 0.2534222 -0.0710095 ] [ 0.018484 -0.0486372 0.0004939 ] [ -0.0506375 0.1235179 -0.0283626 ] [ -0.0195834 -0.1593337 -0.1172151 ] [ 0.1308962 0.0373742 0.2697984 ] [ 0.0415199 -0.2063435 -0.0537051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.933493928568474e-10 4.060271240317018e-10 -1.137697607546976e-10 ] [ 2.96146326588672e-11 -7.792538474117375e-11 7.913150330131201e-13 ] [ -8.113021863576e-11 1.978974916303123e-10 -4.544189462510209e-11 ] [ -3.137606563577472e-11 -2.55280729045561e-10 -1.877992928247341e-10 ] [ 2.09718831391561e-10 5.988006946110337e-11 4.322646888092467e-10 ] [ 6.652221307795391e-11 -3.305987315540448e-10 -8.604505563772608e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.704691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.195733551548817e-18 } }