{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0347559 -1.7973972 -5.1937205 ] [ -2.8508115 3.453577 -1.346051 ] [ 0.0441891 -3.4624143 6.9366837 ] [ -4.7087122 6.2346 -9.8091596 ] [ 0.4402914 1.9701684 0.6739032 ] [ 3.0608778 0.5605163 -0.0149205 ] [ 2.9794094 -6.9590502 8.7532647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.657861711214863e-09 -2.879747772131382e-09 -8.321257560069687e-09 ] [ -4.567503535607779e-09 5.533240327532602e-09 -2.156611442604461e-09 ] [ 7.079874291419328e-11 -5.547399242983597e-09 1.111379245002444e-08 ] [ -7.544188600915734e-09 9.98893036003968e-09 -1.571600618081588e-08 ] [ 7.054245874193011e-10 3.156557749518943e-09 1.079711951722307e-09 ] [ 4.904066850285739e-09 8.98046111437319e-10 -2.39052762706464e-11 ] [ 4.773540084471756e-09 -1.114962753341356e-08 1.402427605801393e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.463845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.798016416827497e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7988299 1.5520378 0.7904032 ] [ 1.0787103 2.7366152 1.8708895 ] [ 1.5834534 1.5208101 3.8193544 ] [ 2.630758 4.410511 2.5109075 ] [ 3.8662327 1.4084533 2.9756934 ] [ 4.3534482 3.2287391 1.4314575 ] [ 3.1380674 3.1975026 4.4604484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7988299e-10 1.5520378e-10 7.904032e-11 ] [ 1.0787103e-10 2.7366152e-10 1.8708895e-10 ] [ 1.5834534e-10 1.5208101e-10 3.8193544e-10 ] [ 2.630758e-10 4.410511e-10 2.5109075e-10 ] [ 3.8662327e-10 1.4084533e-10 2.9756934e-10 ] [ 4.3534482e-10 3.2287391e-10 1.4314575e-10 ] [ 3.1380674e-10 3.1975026e-10 4.4604484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.4e-06 6.6e-05 5.88e-05 ] [ 3.51e-05 -4.25e-05 -2.34e-05 ] [ 6.4e-05 4.67e-05 -5e-06 ] [ -2.66e-05 1.36e-05 -6.4e-06 ] [ -2.12e-05 4e-07 -6.75e-05 ] [ -3.09e-05 -7.49e-05 7.06e-05 ] [ -1.2e-05 -9.3e-06 -2.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.345828361472e-14 1.057436569728e-13 9.420798530304e-14 ] [ 5.623639939008e-14 -6.8092506384e-14 -3.749093292672001e-14 ] [ 1.025393037312e-13 7.482164819136e-14 -8.010883104e-15 ] [ -4.261789811328e-14 2.178960204288e-14 -1.025393037312e-14 ] [ -3.396614436096001e-14 6.408706483200001e-16 -1.08146921904e-13 ] [ -4.950725758272e-14 -1.2000302889792e-13 1.1311366942848e-13 ] [ -1.92261194496e-14 -1.490024257344e-14 -4.341898642368e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }