{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1543184 2.6819524 1.8680743 ] [ -0.8618676 -0.2992055 -4.3192123 ] [ 3.2945521 6.513367 5.918166 ] [ 0.6891147 -1.4692583 -10.0774702 ] [ -3.4054965 -2.6136442 6.3335111 ] [ -0.9409943 -1.2627792 -3.5318457 ] [ -1.8138176 -0.9275772 2.7588286 ] [ 0.8841908 -2.6228549 1.0499482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.451598602676265e-09 4.296961468780221e-09 2.992984994035906e-09 ] [ -1.380864130321658e-09 -4.79380060864287e-10 -6.920141024345398e-09 ] [ 5.278454394115631e-09 1.043556441606668e-08 9.481947281333243e-09 ] [ 1.10408347048592e-09 -2.354011317570562e-09 -1.614588728427131e-08 ] [ -5.456206919468781e-09 -4.187519666829622e-09 1.014740349559964e-08 ] [ -1.507639080187186e-09 -2.023195328141213e-09 -5.658640655433372e-09 ] [ -2.906056177057958e-09 -1.486142516071145e-09 4.420130720130932e-09 ] [ 1.416629839757767e-09 -4.202276835152407e-09 1.682202472950359e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6.3199633984375225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.012569768471183e-18 } }