{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6067753 -4.4007472 1.3845696 ] [ -0.4296671 0.4470047 -2.60015 ] [ -1.0817066 0.5624631 2.6242082 ] [ 2.7184484 4.261802 -0.2877834 ] [ 0.5634486 -0.6675564 0.5006851 ] [ -0.4600343 0.7733093 -0.9607423 ] [ 0.2962863 -0.9762755 -0.6607872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.574337820538906e-09 -7.050774277891061e-09 2.218325042990408e-09 ] [ -6.884025823469357e-10 7.161804797277178e-10 -4.165899540573121e-09 ] [ -1.733085025085057e-09 9.011652288826925e-10 4.20444502615165e-09 ] [ 4.355434471331168e-09 6.828159526878683e-09 -4.610798353343348e-10 ] [ 9.027441739424908e-10 -1.069543257145413e-09 8.021859616029101e-10 ] [ -7.370562002260934e-10 1.238978081107213e-09 -1.53927885167362e-09 ] [ 4.74702982923335e-10 -1.56416578155983e-09 -1.058697803163894e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.923355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.512508683049878e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7686344 0.5054028 2.5751224 ] [ 1.2759089 2.3716079 2.7614958 ] [ 1.7933584 2.6660764 5.0413286 ] [ 3.5401833 2.802328 2.1033002 ] [ 2.8319111 0.5521841 4.9708489 ] [ 4.7192573 1.4236666 3.7774818 ] [ 3.8500946 3.5834211 4.3481973 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7686344e-10 5.054028000000001e-11 2.5751224e-10 ] [ 1.2759089e-10 2.3716079e-10 2.7614958e-10 ] [ 1.7933584e-10 2.6660764e-10 5.0413286e-10 ] [ 3.5401833e-10 2.802328e-10 2.1033002e-10 ] [ 2.8319111e-10 5.521841e-11 4.9708489e-10 ] [ 4.719257299999999e-10 1.4236666e-10 3.7774818e-10 ] [ 3.8500946e-10 3.5834211e-10 4.3481973e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.57e-05 -2.21e-05 2.1e-06 ] [ -3.48e-05 6.2e-06 1.8e-05 ] [ 4.7e-06 2.09e-05 6.7e-06 ] [ 4.25e-05 3.3e-06 2.9e-05 ] [ -1.13e-05 2.09e-05 -9.1e-06 ] [ 3.6e-06 1.1e-05 -3.37e-05 ] [ -3.04e-05 -4.02e-05 -1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.117593915456e-14 -3.540810331968e-14 3.36457090368e-15 ] [ -5.575574640383999e-14 9.93349504896e-15 2.88391791744e-14 ] [ 7.53023011776e-15 3.348549137472e-14 1.073458335936e-14 ] [ 6.8092506384e-14 5.28718284864e-15 4.64631220032e-14 ] [ -1.810459581504e-14 3.348549137472e-14 -1.457980724928e-14 ] [ 5.76783583488e-15 1.76239428288e-14 -5.399335212096e-14 ] [ -4.870616927232e-14 -6.440750015616e-14 -2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }