{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1444333 -3.487386 -2.6852343 ] [ -0.9657171 -0.6480427 8.7714646 ] [ 0.9419803 -0.8970531 1.7463958 ] [ -9.8641694 -13.2622555 7.9910908 ] [ 5.6357895 9.4697877 -11.6447088 ] [ 2.3798868 3.6166364 1.6348541 ] [ 5.7122423 5.5844412 -3.9107271 ] [ -0.6955791 -0.3761281 -1.9031351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.037937518924993e-09 -5.587408316905229e-09 -4.302219616830253e-09 ] [ -1.547249359926776e-09 -1.038278863220108e-09 1.405343551229482e-08 ] [ 1.50921881391417e-09 -1.437237504436165e-09 2.798034521423313e-09 ] [ -1.580414159629076e-08 -2.124847570117621e-08 1.280313885444997e-08 ] [ 9.02953017665012e-09 1.51722724568794e-08 -1.865688019538403e-08 ] [ 3.812998991110525e-09 5.794490286014277e-09 2.619325017439025e-09 ] [ 9.152021065404819e-09 8.947261130872297e-09 -6.265675529948984e-09 ] [ -1.114440571937105e-09 -6.026236482459246e-10 -3.04915856344387e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.433074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.074827655787634e-18 } }