{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1519878 -8.0132044 0.5333309 ] [ -1.8897031 7.9028884 -1.8176366 ] [ -2.8486167 -0.6903346 2.3793493 ] [ 0.7912781 -2.3491125 -5.5558969 ] [ 0.7198052 -3.1767159 8.463065 ] [ 1.0752488 6.326479 -4.0022116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.447864541406827e-09 -1.283856874737169e-08 8.544902991302228e-10 ] [ -3.027638127073285e-09 1.266182303127152e-08 -2.912174865630401e-09 ] [ -4.563987078360448e-09 -1.10603795664932e-09 3.812137821176845e-09 ] [ 1.267767272371044e-09 -3.76369312712904e-09 -8.901528120755195e-09 ] [ 1.153255062970268e-09 -5.089659945903631e-09 1.355932488331075e-08 ] [ 1.722738488903255e-09 1.013613674578216e-08 -6.412249857014561e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.581215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.336168177585827e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6758514 0.3413418 0.5079569 ] [ -0.0642261 2.7106664 0.0624321 ] [ 0.1641638 2.0518823 2.4447351 ] [ 3.1944063 0.3464246 0.3784707 ] [ 2.2020571 0.5733187 2.642379 ] [ 2.2815703 2.6180839 0.983615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.758514e-11 3.413418e-11 5.079569000000001e-11 ] [ -6.42261e-12 2.7106664e-10 6.24321e-12 ] [ 1.641638e-11 2.0518823e-10 2.4447351e-10 ] [ 3.1944063e-10 3.464246e-11 3.784707e-11 ] [ 2.2020571e-10 5.733187e-11 2.642379e-10 ] [ 2.2815703e-10 2.6180839e-10 9.836150000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.42e-05 -2.17e-05 -7e-07 ] [ 6.8e-06 -6e-07 -1.14e-05 ] [ -2.24e-05 5.3e-06 1.09e-05 ] [ 1.2e-06 -1.6e-06 -2.29e-05 ] [ 9.2e-06 -7.4e-06 1.91e-05 ] [ 1.94e-05 2.6e-05 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.275090801536e-14 -3.476723267136e-14 -1.12152363456e-15 ] [ 1.089480102144e-14 -9.6130597248e-16 -1.826481347712e-14 ] [ -3.588875630592e-14 8.491536090240001e-15 1.746372516672e-14 ] [ 1.92261194496e-15 -2.56348259328e-15 -3.668984461632e-14 ] [ 1.474002491136e-14 -1.185610699392e-14 3.060157345728e-14 ] [ 3.108222644352e-14 4.16565921408e-14 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.784895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.169889621398282e-18 } }