{ "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" [ [ 1.9103092000000004 -1.3782592000000002 0.8051788000000002 ] [ -0.48784110000000014 -0.17881240000000004 -0.4946143000000001 ] [ 0.5552382000000001 -1.5947334000000004 1.3465706000000002 ] [ -0.26794780000000007 1.7204633000000005 1.0248357000000001 ] [ 0.5156146000000001 -0.6348600000000001 0.6376748000000001 ] [ -0.9806824000000002 1.0856277000000003 -1.1389417000000002 ] [ 0.25056310000000004 -0.7407337000000002 -1.5560376000000005 ] [ -1.4952540000000003 1.7213078000000004 -0.6246663000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.060652738739152e-09 -2.208214667642512e-09 1.290038648923799e-09 ] [ -7.816076050853551e-10 -2.86489046789138e-10 -7.924594677733576e-10 ] [ 8.895896630150747e-10 -2.555044569888895e-09 2.157443933576629e-09 ] [ -4.292997007547944e-10 2.756486076204417e-09 1.641967798701203e-09 ] [ 8.261056574631439e-10 -1.017157849481088e-09 1.021667656233316e-09 ] [ -1.571226413710034e-09 1.739367319832877e-09 -1.824785764194208e-09 ] [ 4.014463408551725e-10 -1.186786216378681e-09 -2.493047063805743e-09 ] [ -2.395661000957684e-09 2.757839114360683e-09 -1.000825741661639e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.122105240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.743263671545338e-18 } }