{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5936423 0.3568932 -0.539612 ] [ 0.3796983 -0.0630192 2.7314686 ] [ -0.5709944 0.4498345 -0.5421993 ] [ -0.0273857 -1.4524552 -2.2870265 ] [ -2.5220203 0.6400643 0.6151442 ] [ 5.0207436 -1.5873891 -1.3494297 ] [ -1.7620208 3.3576833 1.9107715 ] [ 2.0756216 -1.7016117 -0.5391169 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.155473090014018e-09 5.718059458734887e-10 -8.645537378260078e-10 ] [ 6.083437442295221e-10 -1.009678897333728e-10 4.376295167424692e-09 ] [ -9.148338858248496e-10 7.20714325067073e-10 -8.686990494311562e-10 ] [ -4.387672864573379e-11 -2.327089783371797e-09 -3.664220419638801e-09 ] [ -4.040721995133669e-09 1.025496065717566e-09 9.855696637806227e-10 ] [ 8.044118081225042e-09 -2.543277725086289e-09 -2.162024734565629e-09 ] [ -2.823068554381987e-09 5.379601727632013e-09 3.061393450213131e-09 ] [ 3.325512428545694e-09 -2.726282505881017e-09 -8.637605001745145e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.341452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.662324860603256e-18 } }