{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5621734 0.0526617 0.4075 ] [ -1.5461661 0.5028242 1.1010954 ] [ 1.0341504 -2.1779543 0.035032 ] [ -0.4943009 0.5000392 0.0303843 ] [ -0.3300475 0.4211359 0.4206992 ] [ -0.5714135 0.9550426 0.9235192 ] [ 1.9257017 -0.0896413 -1.3391246 ] [ -0.5800975 -0.164108 -1.5791054 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.007010783156468e-10 8.437334455158336e-11 6.52886972976e-10 ] [ -2.477231177293515e-09 8.056131776124635e-10 1.764149307150424e-09 ] [ 1.656891593270968e-09 -3.48946746063083e-09 5.61274513798656e-11 ] [ -7.919573456203987e-10 8.011511157235354e-10 4.868101509937344e-11 ] [ -5.28794388253488e-10 6.747340931595667e-10 6.740344226292634e-10 ] [ -9.155053505095008e-10 1.530146925588046e-09 1.479640871099919e-09 ] [ 3.085314242374816e-09 -1.43621195118119e-10 -2.145514126458152e-09 ] [ -9.294186522845281e-10 -2.629300008862464e-10 -2.530005753659032e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.980615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.52168274638058e-18 } }