{ "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" [ 5.37928 0 0 ] "si-unit" "m" "si-value" [ 5.37928e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.109609 5.36452 0 ] "si-unit" "m" "si-value" [ -1.09609e-11 5.36452e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.116688 0.583163 5.41925 ] "si-unit" "m" "si-value" [ -1.16688e-11 5.83163e-11 5.41925e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.571677599999997 -9.961646099999998 23.544670399999998 ] [ -1.3449305999999999 6.239864299999999 -4.160651699999999 ] [ 5.068012399999999 4.883503299999999 -0.11538979999999999 ] [ -9.438356599999999 -9.280162399999998 1.1159787999999997 ] [ 3.1870939999999996 3.2047259999999995 -1.6750532999999999 ] [ -15.248446699999999 13.597517999999999 -23.579254199999998 ] [ -7.127544199999999 -8.000223799999999 0.30638679999999996 ] [ 7.332494099999999 -0.6835792999999999 4.563312999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.815293103895505e-08 -1.59603164861035e-08 3.772272045932178e-08 ] [ -2.154816363918516e-09 9.997364698424556e-09 -6.666098881031774e-09 ] [ 8.119850981204496e-09 7.824234814859648e-09 -1.848748398387878e-10 ] [ -1.512191428329338e-08 -1.486845923450722e-08 1.787995142668439e-09 ] [ 5.106287495091955e-09 5.1345370732699e-09 -2.683731235853888e-09 ] [ -2.443070480625491e-08 2.178562544050717e-08 -3.777812981514021e-08 ] [ -1.141958468095864e-08 -1.281777153352773e-08 4.908857678817254e-10 ] [ 1.174795061917394e-08 -1.095214772922829e-09 7.311233401992709e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2643032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.484304999504263e-18 } }