{ "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" [ [ 3.7856547 8.1929053 2.6271143 ] [ 2.2076445 -3.0700866 -2.6479054 ] [ -4.6926138 -2.465222 1.8424977 ] [ -0.7694069 -5.6525932 0.9297722 ] [ -3.7054136 6.7394488 -6.2792384 ] [ 2.6940349 6.9974878 0.6189282 ] [ 2.044063 -2.4746947 3.6054426 ] [ -1.5639628 -8.2672454 -0.6966112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.065287454761637e-09 1.312648132808841e-08 4.209101111629358e-09 ] [ 3.537036404937705e-09 -4.918820974351362e-09 -4.242412125970072e-09 ] [ -7.518396120803447e-09 -3.949721053481817e-09 2.952006738817772e-09 ] [ -1.232725747062204e-09 -9.05645267193306e-09 1.489659281509782e-09 ] [ -5.936727040314363e-09 1.079778730443861e-08 -1.00604489609096e-08 ] [ 4.316319732399266e-09 1.121121135749323e-08 9.916322919938265e-10 ] [ 3.27494995004231e-09 -3.96489799195767e-09 5.776555841356366e-09 ] [ -2.505744633960907e-09 -1.324558729829634e-08 -1.116094178427433e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.065268 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.734157341728638e-18 } }