{ "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" [ [ 0.5250462000000001 1.1855448000000002 -0.8745440000000002 ] [ 0.4614889000000001 0.21569880000000005 0.40145960000000014 ] [ 1.0800113000000002 1.1651452000000002 -2.2102781000000005 ] [ 0.6834683000000001 -0.09003040000000001 0.6200749000000001 ] [ -0.5955103000000002 -0.6115772000000002 -1.5504891000000005 ] [ -0.4529706000000001 -1.2885913000000002 2.3172302000000005 ] [ -1.2227227000000003 -0.5313013000000001 -1.0432923000000003 ] [ -0.4788110000000001 -0.044888700000000004 2.3398388000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.412167534104909e-10 1.899452177120203e-09 -1.401173962204896e-09 ] [ 7.393867324303626e-10 3.455875773418392e-10 6.432091906149866e-10 ] [ 1.730368869315964e-09 1.866768414657257e-09 -3.541255926461916e-09 ] [ 1.095036940339702e-09 -1.442446032296736e-10 9.934695161098866e-10 ] [ -9.541126879663303e-10 -9.798546997271449e-10 -2.48415740729169e-09 ] [ -7.257389112089605e-10 -2.064550871635684e-09 3.712612082039147e-09 ] [ -1.959017739801392e-09 -8.512385284738243e-10 -1.671538545492119e-09 ] [ -7.671397963021741e-10 -7.191962627063579e-11 3.7488350526866e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.381335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.828932485072639e-18 } }