{ "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" [ [ -1.405827 -3.6541376 -1.040791 ] [ 3.5010137 -0.3538549 0.009731 ] [ 3.7073132 -2.297448 3.4340212 ] [ -11.2745504 9.0035775 -4.5204461 ] [ -3.1743884 -3.0040179 -3.9904739 ] [ 7.5015972 -4.3032453 -2.0966135 ] [ 4.6208741 -0.9321182 13.0568445 ] [ -3.4760324 5.5412444 -4.8522721 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.252383170846318e-09 -5.854573880140838e-09 -1.667531021077494e-09 ] [ 5.609242345453886e-09 -5.669380526064066e-10 1.5590780825454e-11 ] [ 5.939770583959769e-09 -3.680917503430032e-09 5.50190852730064e-09 ] [ -1.806382120973535e-08 1.442532149290813e-08 -7.242553116676427e-09 ] [ -5.085930921720646e-09 -4.812967287497748e-09 -6.393444041166852e-09 ] [ 1.201888375151982e-08 -6.89455907003032e-09 -3.359145160228959e-09 ] [ 7.403456511675779e-09 -1.493418000166139e-09 2.091937117167141e-08 ] [ -5.56921789030694e-09 8.87805230096335e-09 -7.774196980430112e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.799532074190157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.531364111740102e-18 } }