{ "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" [ [ 0.29002620000000007 -0.17750570000000002 -0.12798150000000003 ] [ -0.05790690000000001 -0.21546970000000004 -0.12293180000000002 ] [ -0.09192230000000001 -0.24920470000000006 0.27794510000000006 ] [ 0.09320620000000002 0.17792080000000002 0.15503620000000004 ] [ 0.020095200000000004 -0.03969480000000001 0.13949320000000004 ] [ -0.19329370000000007 0.17023090000000002 -0.10910280000000003 ] [ -0.07775230000000001 0.014924200000000004 -0.10243190000000003 ] [ 0.017547600000000003 0.31879900000000005 -0.11002650000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.646731970594651e-10 -2.843954825987386e-10 -2.050489671949152e-10 ] [ -9.277708136300355e-11 -3.452205158307899e-10 -1.969584559128615e-10 ] [ -1.472757599901639e-10 -3.992699441334779e-10 4.453171410859182e-10 ] [ 1.49332794553609e-10 2.850605461140327e-10 2.48395375017673e-10 ] [ 3.219605963030016e-11 -6.359808052733185e-11 2.234927438005786e-10 ] [ -3.096906470879291e-10 2.727399681177427e-10 -1.748019554238183e-10 ] [ -1.245729172734278e-10 2.391120432414337e-11 -1.641139954041236e-10 ] [ 2.811435447115009e-11 5.107723045344193e-10 -1.762818859684513e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 29.124892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.666322104572495e-18 } }