{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -29.3030482 -36.1560034 -35.4102623 ] [ 6.050806 11.1040451 51.9316564 ] [ -52.1145454 -94.9019964 -89.9383149 ] [ -7.0655274 32.4022909 152.6689214 ] [ 34.3151 25.0169169 -83.7007202 ] [ 26.5898932 30.2468991 24.8685635 ] [ 19.444344 21.0630016 -28.0211727 ] [ 2.0829778 11.2248462 7.6013289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.694865913101575e-08 -5.792830382630456e-08 -5.673349486087109e-08 ] [ 9.694459990067003e-09 1.779064160210219e-08 8.320368644899654e-08 ] [ -8.349670693141216e-08 -1.520497611520321e-07 -1.44097066634114e-07 ] [ -1.132022290716677e-08 5.191419336805082e-08 2.446025786050625e-07 ] [ 5.497885141337339e-08 4.008151971189971e-08 -1.341033381534118e-07 ] [ 4.260170558559548e-08 4.846087498897563e-08 3.984383136084526e-08 ] [ 3.115327362025809e-08 3.374664900542461e-08 -4.489486815721869e-08 ] [ 3.337298360300725e-09 1.798418630188369e-08 1.217867155092892e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.922351 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.153218507054653e-18 } }