{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4075179 -8.631034 -12.6154932 ] [ -13.9378552 -27.0667495 10.3174891 ] [ 0.5676489 7.1620112 -2.2958601 ] [ -9.1733445 6.3723046 1.2460351 ] [ 3.9859976 -3.6587764 1.5946614 ] [ -1.7021374 3.4467941 -1.2814517 ] [ 24.6672085 22.37545 3.0346195 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.061622193316748e-09 -1.382844100205955e-08 -2.021224843142588e-08 ] [ -2.233090592951539e-08 -4.336571360723118e-08 1.653043995756969e-08 ] [ 9.094738038958026e-10 1.14748069970863e-08 -3.678373407152903e-09 ] [ -1.469731821353241e-08 1.020955753485072e-08 1.996368322363853e-09 ] [ 6.386272217900078e-09 -5.862006057110637e-09 2.554929234221727e-09 ] [ -2.727124770137511e-09 5.522372969229059e-09 -2.053111971339578e-09 ] [ 3.952122508470618e-08 3.58494231652353e-08 4.861996455980763e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4851898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.186066296615132e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0090113 1.3943052 2.5917965 ] [ 2.5888169 1.7175812 5.1099966 ] [ 3.2627338 4.7367564 3.4640454 ] [ 1.2178501 3.4580952 3.9690619 ] [ 4.6023918 1.6289939 2.5553078 ] [ 3.2314204 3.369495 1.4143634 ] [ 4.6329316 2.9972301 4.604348 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0090113e-10 1.3943052e-10 2.5917965e-10 ] [ 2.5888169e-10 1.7175812e-10 5.1099966e-10 ] [ 3.2627338e-10 4.7367564e-10 3.4640454e-10 ] [ 1.2178501e-10 3.4580952e-10 3.9690619e-10 ] [ 4.602391800000001e-10 1.6289939e-10 2.5553078e-10 ] [ 3.2314204e-10 3.369495e-10 1.4143634e-10 ] [ 4.6329316e-10 2.9972301e-10 4.604348e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.5e-06 -6.1e-06 5.5e-06 ] [ 1.26e-05 1.8e-05 -5.8e-06 ] [ 1.04e-05 6.92e-05 -1.63e-05 ] [ -5e-07 -3.51e-05 -6.4e-06 ] [ 9e-07 -3.52e-05 -1.64e-05 ] [ -6.1e-06 1.15e-05 2.88e-05 ] [ -2.28e-05 -2.22e-05 1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.811971486999999e-15 -9.773277467399999e-15 8.811971486999999e-15 ] [ 2.01874255884e-14 2.8839179412e-14 -9.2926244772e-15 ] [ 1.66626369936e-14 1.108706230728e-13 -2.61154791342e-14 ] [ -8.010883169999999e-16 -5.62363998534e-14 -1.02539304576e-14 ] [ 1.4419589706e-15 -5.63966175168e-14 -2.62756967976e-14 ] [ -9.773277467399999e-15 1.8425031291e-14 4.614268705919999e-14 ] [ -3.65296272552e-14 -3.55683212748e-14 1.66626369936e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.757316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485906331375434e-18 } }