{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3951741000000001 1.8899255000000004 -1.5482765000000005 ] [ 0.6807681000000001 0.33722920000000006 0.6248287000000001 ] [ 1.1996294000000003 1.5890234000000005 -3.011543900000001 ] [ 1.1233483000000002 -0.27824280000000007 0.9683908000000002 ] [ -0.5793733000000001 -1.0625758000000003 -2.3268370000000003 ] [ -0.3115338000000001 -1.7235899000000003 3.252347800000001 ] [ -1.8101523000000004 -0.6696921000000001 -1.4894409000000002 ] [ -0.6978604000000002 -0.08207740000000001 3.5305310000000008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.331387041656814e-10 3.027994451153751e-09 -2.480612410834052e-09 ] [ 1.090710734006437e-09 5.403007400910874e-10 1.001085935144857e-09 ] [ 1.922018178304332e-09 2.545896141384127e-09 -4.825025229092854e-09 ] [ 1.799802383275425e-09 -4.457941090659304e-10 1.551533099557809e-09 ] [ -9.282583559757448e-10 -1.702434104587857e-09 -3.72800384181241e-09 ] [ -4.991321709489832e-10 -2.76149544162701e-09 5.210835607870316e-09 ] [ -2.900183695147349e-09 -1.072965025754456e-09 -2.386347388043311e-09 ] [ -1.118095617462136e-09 -1.315024913760499e-10 5.656534227209646e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.180561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.796764896162827e-18 } }