{ "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" [ [ 2.2963973000000006 -1.4115890000000002 1.0692609000000002 ] [ -0.5749153000000001 -0.22571790000000005 -0.5529412000000001 ] [ 0.7909936000000002 -1.9632521000000005 1.5766599000000003 ] [ -0.30061070000000006 2.0185471000000006 1.0339903000000001 ] [ 0.5983953000000001 -0.6007896000000001 0.7804523000000002 ] [ -1.1451488000000003 1.1945036000000002 -1.3994389000000003 ] [ 0.34717280000000006 -1.0028966000000001 -1.9230574000000005 ] [ -2.0122841000000005 1.9911946000000005 -0.5849258000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.679234066128245e-09 -2.261614893978452e-09 1.713144815515567e-09 ] [ -9.211158526002184e-10 -3.616399422760724e-10 -8.859094633170971e-10 ] [ 1.267311453122427e-09 -3.145476615356505e-09 2.526087630732867e-09 ] [ -4.816314355023227e-10 3.234068971603641e-09 1.656635084793978e-09 ] [ 9.587349596566024e-10 -9.62571051139784e-10 1.250422428709588e-09 ] [ -1.834730634697176e-09 1.913805741381435e-09 -2.242148287818069e-09 ] [ 5.562321435376743e-10 -1.60681748559981e-09 -3.081077606736435e-09 ] [ -3.22403453942757e-09 3.190245435583209e-09 -9.37154441662737e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.866811 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.746496604685227e-18 } }