{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46308e-10 0.0 0.0 ] "source-value" [ 5.46308 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] "source-value" [ -0.0404011 5.38219 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] "source-value" [ 0.0107061 -0.144189 5.56456 ] } "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" [ [ 7.563949526921356e-10 2.696094752183616e-11 6.977022563247073e-10 ] [ -2.449537714620649e-09 5.972568372192307e-10 1.880048200416503e-09 ] [ 1.646057674961119e-09 -3.423471562572808e-09 5.923519337123137e-11 ] [ -5.638524159815232e-10 7.850309758710183e-10 8.158956267294337e-11 ] [ -8.107858048327162e-10 6.336954605414092e-10 6.91954287479925e-10 ] [ -8.092674220491841e-10 1.519024775704115e-09 1.463485803797069e-09 ] [ 3.057976142476443e-09 9.397374708107904e-11 -2.157154900914236e-09 ] [ -8.269852524279629e-10 -2.324711813658797e-10 -2.716860403148143e-09 ] ] "source-value" [ [ 0.4721046 0.0168277 0.4354715 ] [ -1.5288812 0.3727784 1.1734338 ] [ 1.0273884 -2.1367629 0.0369717 ] [ -0.351929 0.4899778 0.0509242 ] [ -0.5060527 0.3955216 0.4318839 ] [ -0.505105 0.9481007 0.913436 ] [ 1.9086386 0.0586538 -1.3463902 ] [ -0.5161636 -0.1450971 -1.6957309 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.0999699726272e-18 "source-value" -25.59 } }