{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.5113383 -1.8978947 -0.2436954 ] [ 1.5141503 0.1332094 -0.5620978 ] [ 11.4728736 -0.1598048 1.0894476 ] [ -1.2345817 0.4648929 -0.0711711 ] [ -0.2411039 1.4595972 -0.2124833 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.844319709837962e-08 -3.04076251708023e-09 -3.904430724765044e-10 ] [ 2.425936211037307e-09 2.134249863507956e-10 -9.005799537631143e-10 ] [ 1.838156985531353e-08 -2.560355144516198e-10 1.74548747430667e-09 ] [ -1.978017936207519e-09 7.448405355559124e-10 -1.140286724966189e-10 ] [ -3.862910317637011e-10 2.338532509625142e-09 -3.404357755704327e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.794336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.889660939705979e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5308542 0.3551324 2.320812 ] [ 0.2017656 1.6769437 0.505923 ] [ 2.6283405 0.739163 3.0969453 ] [ 2.0958681 2.8778989 0.1603952 ] [ 3.5955742 2.2983211 1.7617329 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308542000000001e-11 3.551324e-11 2.320812e-10 ] [ 2.017656e-11 1.6769437e-10 5.059230000000001e-11 ] [ 2.6283405e-10 7.39163e-11 3.0969453e-10 ] [ 2.0958681e-10 2.8778989e-10 1.603952e-11 ] [ 3.5955742e-10 2.2983211e-10 1.7617329e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.24e-05 -1.9e-05 1.59e-05 ] [ 8.6e-06 2e-07 4.8e-06 ] [ -2.3e-06 -4.8e-06 4.6e-06 ] [ 1.21e-05 2.2e-05 -1.96e-05 ] [ -6e-06 1.7e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986699009792e-14 -3.04413557952e-14 2.547460827072e-14 ] [ 1.377871893888e-14 3.2043532416e-16 7.69044777984e-15 ] [ -3.68500622784e-15 -7.69044777984e-15 7.370012455680001e-15 ] [ 1.938633711168e-14 3.52478856576e-14 -3.140266176767999e-14 ] [ -9.6130597248e-15 2.72370025536e-15 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.066442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41391011310392e-18 } }