{ "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" [ [ 0.2973138 0.0992835 1.535424 ] [ 0.4571454 2.256303 0.112609 ] [ 1.021874 2.429871 2.604005 ] [ 1.808416 0.4621254 0.960442 ] [ 2.7331 1.011411 2.670813 ] [ 2.623171 2.959224 2.230467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.973138000000001e-11 9.92835e-12 1.535424e-10 ] [ 4.571454e-11 2.256303e-10 1.12609e-11 ] [ 1.021874e-10 2.429871e-10 2.604005e-10 ] [ 1.808416e-10 4.621254e-11 9.60442e-11 ] [ 2.7331e-10 1.011411e-10 2.670813e-10 ] [ 2.623171e-10 2.959224e-10 2.230467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 16.4090919 2.312045 15.809131 ] [ -1.8114684 8.4982647 -4.8966424 ] [ -17.7918849 6.0731383 0.1104355 ] [ 5.3318307 -4.1457665 -2.7661128 ] [ -8.6983647 -22.5307134 -6.6381118 ] [ 6.5607954 9.7930319 -1.6186995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.629026341073865e-08 3.704304445237536e-09 2.532902008336453e-08 ] [ -2.902292319797983e-09 1.361572101970993e-08 -7.845285973698003e-09 ] [ -2.850574202674455e-08 9.730240199145058e-09 1.769371762063584e-10 ] [ 8.5425344936037e-09 -6.642250161595843e-09 -4.431801258655626e-09 ] [ -1.393631656153201e-08 -3.609818225942528e-08 -1.063542753221661e-08 ] [ 1.051155300373218e-08 1.56901667569286e-08 -2.59344249500065e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7484768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.24144283757712e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3168013 0.0780961 1.7666795 ] [ -0.0066749 2.0007919 0.0898787 ] [ 0.744911 2.468779 2.4489135 ] [ 2.2972664 1.1169158 0.5993224 ] [ 2.381486 0.6549261 3.0779414 ] [ 3.2072305 2.8987091 2.1310245 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.168013e-11 7.809610000000001e-12 1.7666795e-10 ] [ -6.6749e-13 2.0007919e-10 8.987870000000001e-12 ] [ 7.449110000000001e-11 2.468779e-10 2.4489135e-10 ] [ 2.2972664e-10 1.1169158e-10 5.993224000000001e-11 ] [ 2.381486e-10 6.549260999999999e-11 3.0779414e-10 ] [ 3.2072305e-10 2.8987091e-10 2.1310245e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-05 -5.85e-05 -2e-05 ] [ 3.44e-05 5.94e-05 2.63e-05 ] [ 1.4e-06 -2.21e-05 -2.9e-06 ] [ 6.2e-06 6e-07 -1.81e-05 ] [ 1.56e-05 3.68e-05 6.21e-05 ] [ -2.95e-05 -1.63e-05 -4.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-14 -9.37273323168e-14 -3.2043532416e-14 ] [ 5.511487575552001e-14 9.516929127552e-14 4.213724512704e-14 ] [ 2.24304726912e-15 -3.540810331968e-14 -4.646312200320001e-15 ] [ 9.93349504896e-15 9.6130597248e-16 -2.899939683648e-14 ] [ 2.499395528448e-14 5.896009964544001e-14 9.949516815168001e-14 ] [ -4.72642103136e-14 -2.611547891904e-14 -7.594317182591999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.324794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.576826301097612e-18 } }