{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2528778 3.6623831 0.9196174 ] [ -4.4111768 0.5397816 0.4597739 ] [ -4.1942324 3.4194728 -4.3496856 ] [ 16.6121979 -13.8121924 8.2736011 ] [ 3.4412232 4.7932771 3.2526927 ] [ -9.5671446 8.2178537 4.6002858 ] [ -7.0695423 1.5589581 -21.2849428 ] [ 3.9357972 -8.3795339 8.1286575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.007331536417325e-09 5.867784627576484e-09 1.473389510499831e-09 ] [ -7.06748439740289e-09 8.648254669831344e-10 7.366389995030525e-10 ] [ -6.71990114884574e-09 5.478599420758554e-09 -6.96896463356627e-09 ] [ 2.661567531476387e-08 -2.212957192759238e-08 1.32557703614567e-08 ] [ 5.513447403418709e-09 7.679676569907281e-09 5.211388241522371e-09 ] [ -1.532825553221927e-08 1.316645317977044e-08 7.370470418481997e-09 ] [ -1.132665548613462e-08 2.497726241205035e-09 -3.410223801018653e-08 ] [ 6.305842310002625e-09 -1.342549341839089e-08 1.302354511228885e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.80485439843752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.891346188494872e-18 } }