{ "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" [ [ 0.8061087 -1.1425772 -1.962174 ] [ -0.4369794 -0.4811998 -1.4106452 ] [ -0.2300513 -0.1568429 0.9585378 ] [ -1.6028895 -1.5207802 5.346407 ] [ 2.5274801 1.9392015 -0.6305798 ] [ -1.0200421 0.9478671 2.9009759 ] [ 0.4230736 -0.3251115 -3.9546752 ] [ -0.4667 0.7394431 -1.2478465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.291528523604116e-09 -1.830610492381145e-09 -3.143749334642316e-09 ] [ -7.001181842193395e-10 -7.709670758454732e-10 -2.260102778304257e-09 ] [ -3.685828174813241e-10 -2.512900295887986e-10 1.535746865965765e-09 ] [ -2.568112103783943e-09 -2.436558501889846e-09 8.565888371254037e-09 ] [ 4.049469559119983e-09 3.106943331917751e-09 -1.010300221432393e-09 ] [ -1.634287618316291e-09 1.518650519757341e-09 4.647875802777121e-09 ] [ 6.778386363822623e-10 -5.20886048744691e-10 -6.336088200499276e-09 ] [ -7.477358350877998e-10 1.184718456992525e-09 -1.999270505118681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -324.65185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.201496082548729e-17 } }