{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9395711000000002 2.2984575000000005 -1.6644024000000004 ] [ 10.894313500000003 -7.4960504000000014 -9.586569000000003 ] [ -12.062953700000003 1.7903998000000005 8.957101700000003 ] [ 1.7734733000000005 2.6616285000000004 1.6563005000000004 ] [ -2.2085122000000004 2.1404900000000002 5.825965500000001 ] [ -0.15140580000000003 -1.6308208000000004 1.7968726000000004 ] [ 1.3909075000000002 -2.2463225000000007 -1.3900738000000001 ] [ 1.3037486000000003 2.4822179000000006 -5.595195200000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.505358849999339e-09 3.682534870402417e-09 -2.66666661288341e-09 ] [ 1.745461438936582e-08 -1.200999669921849e-08 -1.535937672548604e-08 ] [ -1.932698239593286e-08 2.868536701444997e-09 1.435085893386794e-08 ] [ 2.841417458873025e-09 4.264398955954973e-09 2.653685938119351e-09 ] [ -3.538426613591574e-09 3.429443035056192e-09 9.334225717687383e-09 ] [ -2.425788330135207e-10 -2.612862958474353e-09 2.878907270276111e-09 ] [ 2.228479478195376e-09 -3.599005392277009e-09 -2.227143743546615e-09 ] [ 2.088835526320731e-09 3.976951487111274e-09 -8.964490938252381e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.008427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.327227030398349e-18 } }