{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3766812000000001 0.5557915000000001 2.0903488000000006 ] [ -1.8701509000000005 -0.7357185000000002 0.38741940000000014 ] [ 0.03876170000000001 -0.4560728000000001 -0.6327223000000001 ] [ 1.1918314000000003 0.24720790000000006 -0.16389410000000001 ] [ -1.7730250000000005 -0.6082804000000002 0.05648900000000001 ] [ 1.5353660000000005 -0.3904021000000001 0.21010250000000005 ] [ -0.32454840000000007 0.5091866000000002 -1.5181947000000005 ] [ 1.5784463000000004 0.8782879000000002 -0.4295486000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.035098171070808e-10 8.904761546758111e-10 3.34910800426994e-09 ] [ -2.996312074034071e-09 -1.178750989901529e-09 6.207143102382998e-10 ] [ 6.210309003411781e-11 -7.307091835629553e-10 -1.013732884870738e-09 ] [ 1.909524420747508e-09 3.960707211202087e-10 -2.625872974704594e-10 ] [ -2.84069922649785e-09 -9.745726438001737e-10 9.050535587802602e-11 ] [ 2.459927529838044e-09 -6.254931224845315e-10 3.36621316244985e-10 ] [ -5.199838630820856e-10 8.158068728659046e-10 -2.43241607420264e-09 ] [ 2.528949779883755e-09 1.407172351304929e-09 -6.882127300874125e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.281181 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.812886045212474e-18 } }