{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.4737e-10 0.0 0.0 ] "source-value" [ 5.4737 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] "source-value" [ -0.00330015 5.48579 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] "source-value" [ 0.0734366 -0.160082 5.49307 ] } "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" [ [ 1.833324244059437e-09 8.205611650492032e-11 1.238028631241727e-09 ] [ -7.213583941308192e-10 6.131778265177824e-10 -8.614729052789934e-10 ] [ -1.19551647678542e-09 -1.250651700184024e-09 -3.328508150993061e-09 ] [ -7.058858540684294e-10 4.547177361690338e-09 -3.407715757683861e-09 ] [ -1.132611658081909e-09 -2.199925967112465e-09 -7.038409960473024e-10 ] [ 5.400363809486553e-10 7.053460807648819e-10 1.159359355895516e-09 ] [ 2.277798480025152e-11 -4.229269150714326e-09 2.27965780599359e-09 ] [ 1.359233613040572e-09 1.732089432532892e-09 3.624492016872384e-09 ] ] "source-value" [ [ 1.144271 0.0512154 0.7727167 ] [ -0.4502365 0.3827155 -0.5376891 ] [ -0.7461827 -0.7805954 -2.0774914 ] [ -0.4405793 2.8381249 -2.1269289 ] [ -0.7069206 -1.3730858 -0.439303 ] [ 0.3370642 0.4402424 0.7236152 ] [ 0.0142169 -2.6397022 1.4228505 ] [ 0.8483669 1.0810852 2.26223 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.785836609650013e-18 "source-value" -36.112352 } }