{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3731075 -0.4071904 -1.9831622 ] [ -0.3151154 -0.4386262 0.8225844 ] [ 0.0687602 -0.3924693 -0.7798258 ] [ -3.8744387 -3.9723365 6.6897353 ] [ 4.3859916 3.7319864 -4.4100856 ] [ -0.9405826 0.0701968 2.4094681 ] [ 0.2160255 0.1726071 -3.5103444 ] [ 0.086252 1.2358321 0.7616302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.977841135451359e-10 -6.523909390942003e-10 -3.177376112094294e-09 ] [ -5.048705267340403e-10 -7.02756642910345e-10 1.317925494314796e-09 ] [ 1.101659848815322e-10 -6.288051368417415e-10 -1.249418665056657e-09 ] [ -6.207535103862745e-09 -6.3643846702505e-09 1.071813749700047e-08 ] [ 7.027133200545185e-09 5.979301359223557e-09 -7.065736044046741e-09 ] [ -1.506979451651278e-09 1.124676718149734e-10 3.860393458383396e-09 ] [ 3.461110055966304e-10 2.765470602040877e-10 -5.624191728636204e-09 ] [ 1.381909378972416e-10 1.980021297854168e-09 1.220266100135228e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.247283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.64723727693213e-18 } }