{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3739291 -4.5205521 -7.41218 ] [ -5.914682 -15.9996915 -2.1662003 ] [ -39.0501666 6.9529424 16.8565525 ] [ 37.4699297 -22.3550744 -15.7760839 ] [ 6.9350201 -2.3768532 30.0264035 ] [ 10.0852833 30.580289 0.9429038 ] [ -7.1514554 7.7189398 -22.4713956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.803453703456785e-09 -7.242722887728344e-09 -1.187562150516134e-08 ] [ -9.476365219866586e-09 -2.563433166131249e-08 -3.470635476629946e-09 ] [ -6.256526396486502e-08 1.113984175904904e-08 2.700717432278779e-08 ] [ 6.003344534835956e-08 -3.581677755992459e-08 -2.527607279235928e-08 ] [ 1.111112706899808e-08 -3.808138628113667e-09 4.81076016944073e-08 ] [ 1.615840511740467e-08 4.899502409310741e-08 1.510698424023479e-09 ] [ -1.145789464657391e-08 1.236710488492263e-08 -3.600314466706799e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.241687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.082858105615129e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0126903 2.1148804 0.5773231 ] [ 2.9683512 0.8420524 2.3266767 ] [ 2.2489614 1.9171449 4.3066505 ] [ 5.2279537 1.5289927 2.2199271 ] [ 3.474761 3.9427048 4.3364395 ] [ 4.786517 3.8466295 2.370813 ] [ 3.2383954 4.1405022 0.60713 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0126903e-10 2.1148804e-10 5.773231e-11 ] [ 2.9683512e-10 8.420524e-11 2.3266767e-10 ] [ 2.2489614e-10 1.9171449e-10 4.3066505e-10 ] [ 5.227953699999999e-10 1.5289927e-10 2.2199271e-10 ] [ 3.474761e-10 3.9427048e-10 4.3364395e-10 ] [ 4.786517e-10 3.8466295e-10 2.370813e-10 ] [ 3.2383954e-10 4.1405022e-10 6.0713e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 4.65e-05 4.55e-05 ] [ 1.5e-05 -1.9e-06 1.1e-05 ] [ 1.98e-05 -3.37e-05 -3.68e-05 ] [ -2.09e-05 -1.03e-05 2e-07 ] [ -1.2e-05 2.74e-05 -2.76e-05 ] [ 3.7e-06 -4.8e-06 3.56e-05 ] [ -8.9e-06 -2.33e-05 -2.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.44740051072e-15 7.45012128672e-14 7.28990362464e-14 ] [ 2.4032649312e-14 -3.04413557952e-15 1.76239428288e-14 ] [ 3.172309709184e-14 -5.399335212096e-14 -5.896009964544001e-14 ] [ -3.348549137472e-14 -1.650241919424e-14 3.2043532416e-16 ] [ -1.92261194496e-14 4.389963940992e-14 -4.422007473408001e-14 ] [ 5.928053496960001e-15 -7.69044777984e-15 5.703748770048e-14 ] [ -1.425937192512e-14 -3.733071526464e-14 -4.454051005824e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }