{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.488873 -0.5697324 -1.0517681 ] [ -1.9285171 2.0695096 1.6997976 ] [ 0.7550619 -3.8363276 -0.1336066 ] [ 2.2717831 0.6471066 3.0465736 ] [ -0.6961851 3.2311609 -0.4907831 ] [ 3.7934924 0.8396009 -2.2845101 ] [ 0.2932378 -2.381318 -0.7857034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.191967374340358e-09 -9.12811931392274e-10 -1.685118260323237e-09 ] [ -3.089825010433016e-09 3.31571989764116e-09 2.72337597481195e-09 ] [ 1.209742523436828e-09 -6.146474390449775e-09 -2.140613709045773e-10 ] [ 3.639797770348549e-09 1.036779065685377e-09 4.881148995466491e-09 ] [ -1.11541149096931e-09 5.176890452023087e-09 -7.863212087037486e-10 ] [ 6.077844834462482e-09 1.345188932782639e-09 -3.66018867220147e-09 ] [ 4.698187474948262e-10 -3.815292026290215e-09 -1.258835618363071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.463641 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.759289704904433e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1267455 2.4878784 0.9422969 ] [ 2.354693 3.1743977 3.4019014 ] [ 3.5351302 1.133566 2.3946786 ] [ 4.8293717 2.6386564 3.804203 ] [ 2.5505598 4.829992 1.4541978 ] [ 4.5503813 3.2309149 1.3254304 ] [ 4.2208856 4.9231757 3.222951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1267455e-10 2.4878784e-10 9.422969000000001e-11 ] [ 2.354693e-10 3.1743977e-10 3.4019014e-10 ] [ 3.5351302e-10 1.133566e-10 2.3946786e-10 ] [ 4.8293717e-10 2.6386564e-10 3.804203e-10 ] [ 2.5505598e-10 4.829992e-10 1.4541978e-10 ] [ 4.5503813e-10 3.2309149e-10 1.3254304e-10 ] [ 4.2208856e-10 4.9231757e-10 3.222951e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 7.17e-05 4.12e-05 ] [ 1.56e-05 3.6e-06 -5.71e-05 ] [ -2.82e-05 -2.2e-05 1.36e-05 ] [ 1.99e-05 2.99e-05 2e-06 ] [ 4.56e-05 -7.56e-05 4.26e-05 ] [ 7.4e-06 2.53e-05 -1.12e-05 ] [ -6.28e-05 -3.3e-05 -3.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 1.1487606371136e-13 6.600967677696001e-14 ] [ 2.499395528448e-14 5.76783583488e-15 -9.148428504768e-14 ] [ -4.518138070656001e-14 -3.52478856576e-14 2.178960204288e-14 ] [ 3.188331475392e-14 4.790508096192e-14 3.2043532416e-15 ] [ 7.305925390848e-14 -1.2112455253248e-13 6.825272404608e-14 ] [ 1.185610699392e-14 4.053506850624e-14 -1.794437815296e-14 ] [ -1.0061669178624e-13 -5.28718284864e-14 -4.982769290688e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }