{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0430694 -1.7571621 -2.1091578 ] [ 3.0368977 2.1454712 2.1278042 ] [ -0.7995802 1.671584 -1.2388627 ] [ -1.3704721 0.4999748 0.3331717 ] [ -1.2559909 -1.4033833 -3.751382 ] [ 3.6112364 -1.3189081 -1.2299692 ] [ -1.4861465 1.2749875 4.8019735 ] [ 0.307125 -1.1125639 1.0664223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.273358054320399e-09 -2.815284058770371e-09 -3.379243344578845e-09 ] [ 4.865646534788341e-09 3.43742382555994e-09 3.409118170967062e-09 ] [ -1.281068713449047e-09 2.678172826568256e-09 -1.984876870674152e-09 ] [ -2.195738376168911e-09 8.010479421488231e-10 5.337999128500577e-10 ] [ -2.01231927249663e-09 -2.248467931805812e-09 -6.010376585608187e-09 ] [ 5.785838579930278e-09 -2.113123740213335e-09 -1.970627912779672e-09 ] [ -2.381069197000881e-09 2.042755181142075e-09 7.693609738787198e-09 ] [ 4.9206849871725e-10 -1.782523884411912e-09 1.708596891036538e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.441871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.678413758144221e-18 } }