{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1352201 1.0145433 -2.1390883 ] [ -0.520863 0.3776721 0.3473198 ] [ -0.495081 -0.6908343 -1.271339 ] [ -1.2278076 -0.9591991 3.1571726 ] [ 3.0938571 1.644463 -1.7892179 ] [ -0.1639827 -1.5390378 -0.2555959 ] [ -0.3022648 0.7775961 0.1035246 ] [ -1.5190782 -0.6252034 1.8472241 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.818823103682238e-09 1.62547755604928e-09 -3.427197264086817e-09 ] [ -8.345145212397504e-10 6.050974089484397e-10 5.564676635009319e-10 ] [ -7.932072036022847e-10 -1.106838564306734e-09 -2.036909622911251e-09 ] [ -1.967164631560558e-09 -1.536806372712401e-09 5.058348127550349e-09 ] [ 4.956905513716088e-09 2.63472017237063e-09 -2.866643088896872e-09 ] [ -2.627292481556602e-10 -2.465810381687466e-09 -4.095097753523347e-10 ] [ -4.842815958507878e-10 1.245846291845259e-09 1.658646937976717e-10 ] [ -2.433831577206947e-09 -1.001686270724671e-09 2.959579266398322e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.044732240654234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.730867150377222e-18 } }