{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3421065000000003 -1.3396017000000002 1.1041186000000003 ] [ -0.36855990000000005 -0.16490540000000004 -0.5193032000000001 ] [ 0.8827182000000002 -1.8705183000000005 1.5800877000000004 ] [ -0.17080510000000002 2.1604551000000005 1.0025573000000003 ] [ 0.27196580000000004 -0.5682166000000001 0.6531513000000001 ] [ -0.9808610000000002 0.8991046000000003 -1.3203398000000002 ] [ 0.21232690000000007 -0.9978833000000003 -1.9130267000000005 ] [ -2.1888915000000004 1.8815656000000005 -0.5872453000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.752468277723716e-09 -2.146278524923936e-09 1.768993007510427e-09 ] [ -5.90498055144386e-10 -2.642075765236724e-10 -8.320154461466268e-10 ] [ 1.414270462794659e-09 -2.996900689038562e-09 2.531579571753645e-09 ] [ -2.736599379334061e-10 3.461430651508127e-09 1.606273867072372e-09 ] [ 4.357372464171687e-10 -9.103833520704654e-10 1.046463742705127e-09 ] [ -1.571512562454509e-09 1.440524369773736e-09 -2.115417559071748e-09 ] [ 3.401851951469396e-10 -1.598785293546753e-09 -3.065006653706177e-09 ] [ -3.506990786767844e-09 3.014600414821525e-09 -9.408706903346825e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.615007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.706153156502835e-18 } }