{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8035057 0.1644924 0.5106599 ] [ -0.3001056 0.2447963 -0.5217023 ] [ -0.615024 -0.3763466 -1.4596894 ] [ -0.097304 1.865405 -1.5037662 ] [ -0.5275922 -1.0230856 -0.1649677 ] [ 0.2069269 0.2636435 0.5722019 ] [ -0.0809864 -1.6983421 0.9495551 ] [ 0.6105796 0.5594372 1.6177087 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.287358047219539e-09 2.63545877579282e-10 8.18167352960066e-10 ] [ -4.808221760911565e-10 3.92206908718343e-10 -8.358592280775877e-10 ] [ -9.853770740308992e-10 -6.029737238375693e-10 -2.338680230309579e-09 ] [ -1.558981939103232e-10 2.988708279323424e-09 -2.409299048789257e-09 ] [ -8.452958881564377e-10 -1.63916382939714e-09 -2.643073921271481e-10 ] [ 3.315334413946195e-10 4.224034519258848e-10 9.167685065573395e-10 ] [ -1.297545166827571e-10 -2.721044006740376e-09 1.521354981381406e-09 ] [ 9.782563602574157e-10 8.963172026458137e-10 2.591855058404761e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.598742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.101370595429104e-18 } }