{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6052707000000002 0.3822618000000001 -1.0376809000000002 ] [ 0.9169793000000003 -0.5636223000000001 -0.7332352000000001 ] [ -0.32366910000000004 0.07275510000000002 1.2678897000000002 ] [ -0.15715490000000001 0.6784591000000001 -0.059394200000000015 ] [ -2.4197386000000005 -3.290100200000001 -2.7743949000000003 ] [ 2.6341328000000006 3.024777600000001 2.7087785000000006 ] [ 0.3767404000000001 -0.27701620000000005 0.15767710000000001 ] [ -1.6325607000000004 -0.027514900000000005 0.4703599000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.697505647952507e-10 6.124509189849256e-10 -1.662548077830703e-09 ] [ 1.46916279621755e-09 -9.03022472021524e-10 -1.174772294987612e-09 ] [ -5.185750648953773e-10 1.165665202639661e-10 2.031383235093126e-09 ] [ -2.51789906624162e-10 1.087011308189009e-09 -9.515999865111938e-11 ] [ -3.876848613367323e-09 -5.271321620529406e-09 -4.445070645646754e-09 ] [ 4.220345988242443e-09 4.846227953839536e-09 4.339941583625693e-09 ] [ 6.036046609908404e-10 -4.43828879222857e-10 2.526265632555437e-10 ] [ -2.615650585576883e-09 -4.408372950364993e-11 7.535996351418261e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.060751240654234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.733433677106081e-18 } }