{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1154509 -0.7128904 -3.9038617 ] [ -6.3756622 -3.0058475 5.6224424 ] [ -1.4667374 3.3262975 -2.2565309 ] [ 0.7539588 -2.7296825 -3.261925 ] [ 5.0324533 1.9225524 -6.7844908 ] [ 2.3242167 -3.0722713 3.9097661 ] [ 1.8472218 4.2718418 6.6746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.389325974430319e-09 -1.14217633207276e-09 -6.254675946576544e-09 ] [ -1.021493691895829e-08 -4.815898590190127e-09 9.008145765074643e-09 ] [ -2.349972371132978e-09 5.329316088325488e-09 -3.615361052092782e-09 ] [ 1.207975162406423e-09 -4.373433483706896e-09 -5.226179973803041e-09 ] [ 8.06287902252781e-09 3.08026850754293e-09 -1.086995254379269e-08 ] [ 3.723805658412928e-09 -4.922321249614823e-09 6.264135838216395e-09 ] [ 2.959575581392094e-09 6.84424505971619e-09 1.069388807319168e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.845251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.897818421970782e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0494957 1.970488 1.4104327 ] [ 1.1491281 1.4205647 4.1037392 ] [ 2.4499388 3.8997926 2.6467267 ] [ 3.4302362 0.352571 2.2283262 ] [ 4.9585175 3.1947063 1.3910307 ] [ 4.4769319 1.1970836 4.0194917 ] [ 3.8718368 3.3306101 4.3341249 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0494957e-10 1.970488e-10 1.4104327e-10 ] [ 1.1491281e-10 1.4205647e-10 4.1037392e-10 ] [ 2.4499388e-10 3.8997926e-10 2.6467267e-10 ] [ 3.4302362e-10 3.52571e-11 2.2283262e-10 ] [ 4.9585175e-10 3.1947063e-10 1.3910307e-10 ] [ 4.4769319e-10 1.1970836e-10 4.0194917e-10 ] [ 3.8718368e-10 3.3306101e-10 4.3341249e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 1.88e-05 -3.16e-05 ] [ 6.24e-05 -5.7e-06 3.05e-05 ] [ 1.99e-05 -1.95e-05 1.91e-05 ] [ -2.92e-05 -3.54e-05 -1.39e-05 ] [ 3.33e-05 5.27e-05 -3.86e-05 ] [ -4.64e-05 4e-06 6.8e-05 ] [ -3.21e-05 -1.49e-05 -3.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 3.012092047104e-14 -5.062878121728e-14 ] [ 9.997582113791999e-14 -9.13240673856e-15 4.88663869344e-14 ] [ 3.188331475392e-14 -3.12424441056e-14 3.060157345728e-14 ] [ -4.678355732736e-14 -5.671705237632e-14 -2.227025502912e-14 ] [ 5.335248147264001e-14 8.443470791616e-14 -6.184401756288e-14 ] [ -7.434099520512001e-14 6.4087064832e-15 1.089480102144e-13 ] [ -5.142986952768e-14 -2.387243164992e-14 -5.351269913472e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.483375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.80114546776792e-18 } }