{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4149916 9.1569875 -5.4005189 ] [ 4.5543099 -1.5380741 -1.6829865 ] [ 27.2736041 23.4237374 -14.9152692 ] [ -0.4486665 -1.7437173 -3.6097213 ] [ -2.5706923 -1.9773028 -6.8901186 ] [ -18.6839762 -23.8321551 12.2644208 ] [ -6.8463222 3.3804091 10.6717483 ] [ -6.6932484 -6.8698847 9.5624455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.471419701748385e-09 1.467111128945784e-08 -8.652585121768533e-09 ] [ 7.296808845657986e-09 -2.464266364078001e-09 -2.696441623422019e-09 ] [ 4.369713085397503e-08 3.752896443403858e-08 -2.389689560517832e-08 ] [ -7.188429768361632e-10 -2.7937430913445e-09 -5.783411074463783e-09 ] [ -4.11870310233058e-09 -3.167988318402378e-09 -1.103918693545923e-08 ] [ -2.993502985122363e-08 -3.818332172449949e-08 1.964976827341324e-08 ] [ -1.096901736730402e-08 5.41601242875957e-09 1.709802562932215e-08 ] [ -1.072376610368701e-08 -1.100676865393162e-08 1.532072661777417e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.801213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.531633404888103e-18 } }