{ "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" [ [ 2.9887005000000006 -1.8899388000000004 -1.1509351000000003 ] [ -0.5506642000000002 -2.1316870000000003 -1.2938268000000002 ] [ -1.0308401000000003 -2.5503575000000005 2.8284463000000004 ] [ 0.9306596000000003 1.8805504000000004 1.5673542000000005 ] [ 0.19233900000000007 -0.4316421000000001 1.4065878000000003 ] [ -1.8697508000000005 1.8192118000000004 -1.2131120000000002 ] [ -0.8344240000000003 0.10562250000000002 -1.0023963000000002 ] [ 0.17398000000000002 3.198240700000001 -1.1421182000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.788426107124118e-09 -3.02801578505e-09 -1.844001324470454e-09 ] [ -8.822613144203029e-10 -3.415339102401558e-09 -2.072939067402991e-09 ] [ -1.651587921610224e-09 -4.086123194846655e-09 4.531670572383754e-09 ] [ 1.491081065327787e-09 3.012973909939354e-09 2.511178276441763e-09 ] [ 3.081610516069261e-10 -6.915668868706915e-10 2.253602106829465e-09 ] [ -2.995671043162808e-09 2.914698638257082e-09 -1.943619700825008e-09 ] [ -1.336894635648816e-09 1.69225901524665e-10 -1.606015929868054e-09 ] [ 2.7874669078332e-10 5.124146519447805e-09 -1.829875093306139e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -324.64461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.201380084960427e-17 } }