{ "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" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -343.2123189 206.0018874 -14.3663014 ] [ 70.8380423 -195.1323945 -262.5450685 ] [ -18.3040655 4.8442796 296.7238195 ] [ -61.5086559 51.0607855 -117.5628471 ] [ 352.1869981 -66.774558 97.7503974 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.49886753312134e-07 3.300514078329541e-07 -2.301735223044631e-08 ] [ 1.134950552363015e-07 -3.126365604286225e-07 -4.206435706570345e-07 ] [ -2.932634580969187e-08 7.761391519738377e-09 4.754039664373791e-07 ] [ -9.854773045981198e-08 8.180839676778364e-08 -1.883564450983051e-07 ] [ 5.64265774505554e-07 -1.069846356918536e-07 1.566134013881891e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 158.3425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.53692651579024e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4137314 0.9814552 3.8125938 ] [ 1.0186747 2.195842 -0.5217872 ] [ -0.3540904 2.8501563 1.8495763 ] [ 3.0072918 0.3107047 0.1337611 ] [ 2.6889199 -0.3717276 2.8487851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.137314e-11 9.814552e-11 3.8125938e-10 ] [ 1.0186747e-10 2.195842e-10 -5.217872000000001e-11 ] [ -3.540904000000001e-11 2.8501563e-10 1.8495763e-10 ] [ 3.0072918e-10 3.107047e-11 1.337611e-11 ] [ 2.6889199e-10 -3.717276e-11 2.8487851e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -3e-07 -1.07e-05 ] [ -1.8e-06 -5.4e-06 8.6e-06 ] [ -5e-07 6e-06 5e-07 ] [ -1.4e-06 5e-07 2.1e-06 ] [ 4.7e-06 -9e-07 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 -4.8065298624e-16 -1.714328984256e-14 ] [ -2.88391791744e-15 -8.65175375232e-15 1.377871893888e-14 ] [ -8.010883104e-16 9.6130597248e-15 8.010883104e-16 ] [ -2.24304726912e-15 8.010883104e-16 3.36457090368e-15 ] [ 7.53023011776e-15 -1.44195895872e-15 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }