{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9493827 1.1789736 -2.2161726 ] [ -0.9615953 -0.48402 -0.6774209 ] [ -1.0631978 -0.4231706 -2.4544239 ] [ -1.1091987 3.2588673 3.2143202 ] [ 0.88454 -1.6211477 1.2277966 ] [ 1.0009931 -1.9961562 -1.1825599 ] [ -1.1304934 0.2046466 -0.9695567 ] [ -0.5704307 -0.117993 3.0580172 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.72543200773198e-09 1.888923938460411e-09 -3.55069992737755e-09 ] [ -1.540645508331162e-09 -7.754855279996161e-10 -1.085347928421295e-09 ] [ -1.703430658445994e-09 -6.779940419299085e-10 -3.932420590112757e-09 ] [ -1.777132224961753e-09 5.221280998349619e-09 5.14990867620518e-09 ] [ 1.417189308162432e-09 -2.597364943803693e-09 1.967147007617729e-09 ] [ 1.603767742402117e-09 -3.198194795104969e-09 -1.894669824475586e-09 ] [ -1.811250095448703e-09 3.278799980462093e-10 -1.553401077279999e-09 ] [ -9.139307313265785e-10 -1.890456260180544e-10 4.899483663844279e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.06134 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.617445924191987e-18 } }