{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.4052086 -9.5411507 -0.8402856 ] [ 1.1839904 -2.0106161 0.5156801 ] [ 2.0938102 -6.0652783 1.0855473 ] [ 6.3741355 2.364809 -4.5011286 ] [ -0.4067454 2.4499684 -9.544055 ] [ 3.4941083 2.340285 4.6317634 ] [ -5.3340903 10.4619827 8.6524784 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.186445218881585e-08 -1.528660871301274e-08 -1.34628595420667e-09 ] [ 1.896961753760314e-09 -3.221362135364207e-09 8.262106068387833e-10 ] [ 3.354653778470867e-09 -9.71764717096724e-09 1.739238519161788e-09 ] [ 1.021249096004991e-08 3.788841723672906e-09 -7.211603069549132e-09 ] [ -6.516779758669835e-10 3.925282124518366e-09 -1.529126191461087e-08 ] [ 5.598178674925462e-09 3.74954994390069e-09 7.420903093696394e-09 ] [ -8.546154842306049e-09 1.676194422725223e-08 1.38627987186697e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.057361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.451149215990287e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3629197 2.16457 2.6377681 ] [ 5.7373131 1.7544457 1.5086933 ] [ 4.4315234 1.3760294 3.6208261 ] [ 5.5890972 4.236683 2.1543561 ] [ 3.4426291 3.7295456 1.1035234 ] [ 4.8527024 3.7042084 4.3996827 ] [ 2.480724 4.3829729 3.9281333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3629197e-10 2.16457e-10 2.637768100000001e-10 ] [ 5.7373131e-10 1.7544457e-10 1.5086933e-10 ] [ 4.4315234e-10 1.3760294e-10 3.6208261e-10 ] [ 5.589097200000001e-10 4.236683e-10 2.1543561e-10 ] [ 3.4426291e-10 3.7295456e-10 1.1035234e-10 ] [ 4.852702400000001e-10 3.7042084e-10 4.3996827e-10 ] [ 2.480724e-10 4.382972900000001e-10 3.9281333e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.86e-05 0.0001399 -1.75e-05 ] [ 2e-07 8.31e-05 2.4e-05 ] [ -2.68e-05 -8.8e-06 -1.97e-05 ] [ 2.98e-05 -1.95e-05 -1.5e-05 ] [ -1.82e-05 -0.0001423 -4.76e-05 ] [ 2.84e-05 -5.3e-06 1.95e-05 ] [ -3.2e-05 -4.72e-05 5.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.98004853924e-14 2.241445110966e-13 -2.8038091095e-14 ] [ 3.204353268e-16 1.331408782854e-13 3.8452239216e-14 ] [ -4.293833379119999e-14 -1.40991543792e-14 -3.15628796898e-14 ] [ 4.77448636932e-14 -3.1242444363e-14 -2.403264951e-14 ] [ -2.915961473879999e-14 -2.279897350181999e-13 -7.62636077784e-14 ] [ 4.550181640559999e-14 -8.4915361602e-15 3.1242444363e-14 ] [ -5.126965228799999e-14 -7.562273712480001e-14 9.02025444942e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }