{ "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" [ [ 0.4543761 0.426552 -1.0651338 ] [ -0.1149551 0.3123366 -0.0365317 ] [ -0.4638765 -0.482 -0.7086377 ] [ -0.6022769 -0.1844329 1.795322 ] [ 2.1606782 0.922183 -0.6723001 ] [ 0.2280264 -1.1220831 -0.4804225 ] [ -0.4926113 0.4061388 0.127417 ] [ -1.1693607 -0.2786944 1.0402869 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.279907644702828e-10 6.834116419554816e-10 -1.706532472383863e-09 ] [ -1.841783736617261e-10 5.004183983401613e-10 -5.853023565807936e-11 ] [ -7.432120832385312e-10 -7.722491312256001e-10 -1.135362755557484e-09 ] [ -9.649539684278996e-10 -2.954940804863444e-10 2.876422935207898e-09 ] [ 3.461788097112227e-09 1.477500042699206e-09 -1.077143502381502e-09 ] [ 3.653385670051891e-10 -1.797775309414789e-09 -7.69721697606288e-10 ] [ -7.892503080018951e-10 6.507060901597671e-10 2.041445384924736e-10 ] [ -1.873522374822322e-09 -4.465176520278836e-10 1.666723350104507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 649.37086 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.04040681012079e-16 } }