{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.37928e-10 0.0 0.0 ] "source-value" [ 5.37928 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.09609e-11 5.36452e-10 0.0 ] "source-value" [ -0.109609 5.36452 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.16688e-11 5.83163e-11 5.41925e-10 ] "source-value" [ -0.116688 0.583163 5.41925 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.222503379002459e-08 -4.007260278812868e-08 7.272429965978231e-08 ] [ -8.5511508392527e-09 1.614478613547489e-09 -5.611810588363648e-09 ] [ 2.617259651557152e-10 -1.635379488218811e-09 1.573949953747732e-09 ] [ -8.0416434531604e-09 -1.311537968606523e-08 2.034418590744764e-08 ] [ 1.095873796232263e-08 1.011447163286272e-08 -7.492245554216412e-09 ] [ -4.90213755726427e-08 4.470712088568998e-08 -7.086453581647345e-08 ] [ -1.207769042384157e-08 -1.136195278573184e-08 -1.819523991866773e-08 ] [ 1.424636273161209e-08 9.749243616044364e-09 7.521396356743557e-09 ] ] "source-value" [ [ 32.59630249999999 -25.011351599999998 45.39093799999999 ] [ -5.337208599999999 1.0076782999999998 -3.5026166999999995 ] [ 0.16335649999999996 -1.0207235999999997 0.9823822999999999 ] [ -5.019199099999999 -8.185976199999999 12.697842199999998 ] [ 6.839906299999999 6.312956699999999 -4.676291899999999 ] [ -30.596736299999996 27.903990299999997 -44.230164699999996 ] [ -7.538301499999999 -7.091573199999999 -11.356575599999998 ] [ 8.891880299999999 6.084999299999999 4.694486399999999 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.49607e-11 1.63517e-11 1.68021e-11 ] [ 1.37749e-10 1.37328e-10 1.35818e-10 ] [ 9.64456e-14 2.92001e-10 2.60942e-10 ] [ 1.4682e-10 4.32928e-10 3.69686e-10 ] [ 2.55926e-10 -7.70152e-12 2.34173e-10 ] [ 4.30694e-10 1.43375e-10 4.422170000000001e-10 ] [ 2.84059e-10 2.75554e-10 2.71651e-11 ] [ 3.86093e-10 4.12935e-10 1.26521e-10 ] ] "source-value" [ [ -0.149607 0.163517 0.168021 ] [ 1.37749 1.37328 1.35818 ] [ 0.000964456 2.92001 2.60942 ] [ 1.4682 4.32928 3.69686 ] [ 2.55926 -0.0770152 2.34173 ] [ 4.30694 1.43375 4.42217 ] [ 2.84059 2.75554 0.271651 ] [ 3.86093 4.12935 1.26521 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.069602837946986e-18 "source-value" -12.917445 } }