{ "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" [ [ 3.105721500000001 -1.9285687000000005 0.7046600000000001 ] [ -0.8937836000000002 -0.22588170000000005 -0.7381492000000001 ] [ 0.6900830000000001 -2.3747173000000004 1.7708244000000004 ] [ -0.6369694000000001 2.7090454000000004 1.3161152000000003 ] [ 0.8875205000000003 -0.8371848000000002 0.9353930000000003 ] [ -1.4969613000000002 1.5913331000000004 -1.4497032000000003 ] [ 0.5336699000000001 -1.2500427000000003 -2.0406259000000007 ] [ -2.1892807000000003 2.3160166000000006 -0.49851430000000013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.975914378015909e-09 -3.08990768274665e-09 1.128989777612928e-09 ] [ -1.431999187974459e-09 -3.619023788065594e-10 -1.182645390902223e-09 ] [ 1.105634849011527e-09 -3.804716539069301e-09 2.837173453222188e-09 ] [ -1.020537480845004e-09 4.340369204565785e-09 2.108649003719517e-09 ] [ 1.421964595580727e-09 -1.341317913849124e-09 1.498664795859975e-09 ] [ -2.398396397102375e-09 2.549596688725189e-09 -2.322680574138947e-09 ] [ 8.550334370046742e-10 -2.002789188941709e-09 -3.26944310877896e-09 ] [ -3.507614353908659e-09 3.710667649904706e-09 -7.987079565944777e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.343091 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.34215208654069e-18 } }