{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.43747580000000014 0.43275200000000014 1.7505762000000005 ] [ -1.4610727000000001 -0.6548523000000002 0.26591840000000005 ] [ -0.06936730000000002 -0.3938162000000001 -0.5477060000000001 ] [ 1.1556309000000002 0.20035790000000006 -0.15992790000000004 ] [ -1.4864584000000003 -0.5048345000000001 0.12290240000000002 ] [ 1.2285044000000003 -0.27333230000000003 0.21163630000000005 ] [ -0.3773746000000001 0.4468474000000001 -1.2021677000000002 ] [ 1.4476136000000002 0.7468780000000002 -0.4412317000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.009134989257768e-10 6.933451370044419e-10 2.804732260568906e-09 ] [ -2.340896521229132e-09 -1.049189045137108e-09 4.260482435205428e-10 ] [ -1.111386663080199e-10 -6.309631085322972e-10 -8.775217482718851e-10 ] [ 1.851524810254063e-09 3.210087431725844e-10 -2.562327423936404e-10 ] [ -2.381568896271775e-09 -8.088340332732578e-10 1.9691135192021e-10 ] [ 1.968281028229932e-09 -4.379266207694919e-10 3.390787319726152e-10 ] [ -6.046207614037519e-10 7.159284573452661e-10 -1.926084983220908e-09 ] [ 2.319332665872123e-09 1.196630470189863e-09 -7.069311140958395e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.651777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.109867739137516e-18 } }