{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6817334 -3.6242455 1.5549445 ] [ 2.4706211 2.03491 5.0233367 ] [ -1.4131239 -0.2708615 -6.0513983 ] [ 3.6543728 2.9659753 -1.7332944 ] [ -10.0511992 5.7230922 6.8827879 ] [ -1.7472867 1.1456398 -1.5013361 ] [ 0.938003 0.1106548 1.6583337 ] [ 7.8303463 -8.0851652 -5.8333741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.694433935898495e-09 -5.806681408139607e-09 2.491295724541546e-09 ] [ 3.958371365275179e-09 3.260285227432128e-09 8.048272619146623e-09 ] [ -2.264074074873717e-09 -4.339679627748192e-10 -9.695408879408864e-09 ] [ 5.854950663847435e-09 4.752016283530266e-09 -2.777043764643563e-09 ] [ -1.610379636924366e-08 9.169404521522838e-09 1.102744185930513e-08 ] [ -2.799461900574784e-09 1.835517303417988e-09 -2.405405599383051e-09 ] [ 1.502846476840263e-09 1.772885335392998e-10 2.656943483624761e-09 ] [ 1.254559777462778e-08 -1.295386265874576e-08 -9.346095603400242e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.161781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.473320684308964e-18 } }