{ "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" [ [ 3.6576606000000007 -1.9833062000000004 0.8776769000000002 ] [ -0.9778060000000002 -0.07098350000000002 -0.7494620000000001 ] [ 1.3691584000000003 -2.5677797000000004 1.9445089000000004 ] [ -1.0863669000000002 3.498155400000001 1.4078072000000001 ] [ 1.0131986000000002 -0.8684997000000002 1.2003484000000002 ] [ -1.5827767000000004 1.2888345000000003 -1.5254610000000004 ] [ 0.7979776000000002 -1.7658174000000004 -2.7764391000000006 ] [ -3.191045500000001 2.4693966000000005 -0.37897930000000013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.860218300141302e-09 -3.17760682552769e-09 1.40619340979622e-09 ] [ -1.566617912877965e-09 -1.137281041625568e-10 -1.20077049457801e-09 ] [ 2.193633578651935e-09 -4.114036602704839e-09 3.115446698517526e-09 ] [ -1.740551648790972e-09 5.604662797805274e-09 2.25555578243391e-09 ] [ 1.623323109147291e-09 -1.391489914511814e-09 1.923170143294687e-09 ] [ -2.535887824686976e-09 2.064940503980458e-09 -2.44405795014219e-09 ] [ 1.278501054642094e-09 -2.829151354881842e-09 -4.448345815094994e-09 ] [ -5.112618496009048e-09 3.95640950000301e-09 -6.071917742271496e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.958327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.28050609800814e-18 } }