{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6225065 -6.6109013 1.1593676 ] [ -3.0165963 3.2757835 -2.8291062 ] [ -7.7756401 6.4453064 -1.4609863 ] [ 5.0638687 -1.1860345 5.4481137 ] [ -6.7835633 4.9200775 -5.2538564 ] [ 8.1455585 -2.6448603 -4.6055721 ] [ 3.743866 -4.1993714 7.5420396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.973653605960352e-10 -1.059183150527633e-08 1.857511663633006e-09 ] [ -4.833120066251782e-09 5.248383738502397e-09 -4.532727811400329e-09 ] [ -1.245794877997497e-08 1.032651922797261e-08 -2.340758093169095e-09 ] [ 8.113212041940889e-09 -1.900236747362218e-09 8.728840397600186e-09 ] [ -1.08684665249769e-08 7.882833143024112e-09 -8.417605893120454e-09 ] [ 1.305062339205872e-08 -4.237533337942075e-09 -7.378939944028759e-09 ] [ 5.998334576608013e-09 -6.728134679136166e-09 1.208367952026778e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -22.749119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.644810660559708e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3823392 2.0669867 2.8081636 ] [ 2.488366 3.7841053 0.9361087 ] [ 2.1593302 4.5578827 3.2664732 ] [ 4.1331818 1.9317908 0.9695182 ] [ 4.8206844 1.5607623 3.3205398 ] [ 4.4986046 3.9403416 2.4849454 ] [ 3.6007807 3.1837835 4.7401344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3823392e-10 2.0669867e-10 2.8081636e-10 ] [ 2.488366e-10 3.7841053e-10 9.361087e-11 ] [ 2.1593302e-10 4.5578827e-10 3.2664732e-10 ] [ 4.1331818e-10 1.9317908e-10 9.695182e-11 ] [ 4.820684400000001e-10 1.5607623e-10 3.3205398e-10 ] [ 4.4986046e-10 3.9403416e-10 2.4849454e-10 ] [ 3.6007807e-10 3.1837835e-10 4.7401344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.72e-05 9.87e-05 1.16e-05 ] [ 7.91e-05 1.77e-05 2.45e-05 ] [ 5.62e-05 -3.64e-05 2.8e-06 ] [ -5.1e-06 2.8e-06 7.22e-05 ] [ -2.1e-06 7.86e-05 -4.92e-05 ] [ -0.000219 -0.0001541 3.41e-05 ] [ 3.6e-06 -7.4e-06 -9.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.3970980133376e-13 1.5813483247296e-13 1.858524880128e-14 ] [ 1.2673217070528e-13 2.835852618816e-14 3.92533272096e-14 ] [ 9.004232608896e-14 -5.831922899712e-14 4.48609453824e-15 ] [ -8.17110076608e-15 4.48609453824e-15 1.1567715202176e-13 ] [ -3.36457090368e-15 1.2593108239488e-13 -7.882708974336e-14 ] [ -3.508766799552e-13 -2.4689541726528e-13 5.463422276928e-14 ] [ 5.76783583488e-15 -1.185610699392e-14 -1.5364873793472e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.041216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.492698069400289e-18 } }