{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.3952e-10 0.0 0.0 ] "source-value" [ 5.3952 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.61172e-13 5.6034e-10 0.0 ] "source-value" [ 0.00461172 5.6034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.132900000000001e-12 4.694340000000001e-12 5.27588e-10 ] "source-value" [ 0.071329 0.0469434 5.27588 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.735729557646629e-09 2.729097988395475e-09 -3.067815589757762e-09 ] [ -2.510866311964618e-09 2.754532221815351e-09 -3.614365139105293e-09 ] [ -7.851202171087968e-10 2.103074710820429e-10 -1.906473059641019e-09 ] [ -5.250699524590101e-09 7.302725523700938e-09 -3.885494278848484e-09 ] [ -9.588117039167385e-10 -6.096158834761861e-09 1.264072492865818e-10 ] [ 3.080129598829907e-09 2.317775830849691e-09 3.869937624513502e-09 ] [ 3.212269596283373e-09 -8.259269186393274e-09 3.218812725385058e-09 ] [ 4.773690048203463e-10 -9.59010854470704e-10 5.258990468167418e-09 ] ] "source-value" [ [ 1.7075081000000005 1.7033690000000004 -1.9147799000000005 ] [ -1.5671595000000005 1.7192438000000005 -2.2559093000000003 ] [ -0.4900335000000001 0.13126360000000004 -1.1899269000000001 ] [ -3.2772289000000008 4.558002800000001 -2.4251348000000004 ] [ -0.5984432000000001 -3.804923100000001 0.07889720000000001 ] [ 1.9224657000000005 1.4466419000000001 2.4154251000000007 ] [ 2.0049410000000005 -5.155030400000001 2.0090249000000004 ] [ 0.29795030000000006 -0.5985675000000001 3.282403700000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.48313e-12 -4.05976e-12 7.41579e-12 ] [ 1.40662e-10 1.33729e-10 1.44565e-10 ] [ 2.1393e-12 2.68696e-10 2.73819e-10 ] [ 1.3197e-10 4.02815e-10 4.06112e-10 ] [ 2.69728e-10 3.86556e-12 2.72588e-10 ] [ 4.00631e-10 1.34667e-10 3.9586e-10 ] [ 2.7243e-10 2.85873e-10 -8.050110000000001e-12 ] [ 4.14392e-10 4.06243e-10 1.15826e-10 ] ] "source-value" [ [ -0.0148313 -0.0405976 0.0741579 ] [ 1.40662 1.33729 1.44565 ] [ 0.021393 2.68696 2.73819 ] [ 1.3197 4.02815 4.06112 ] [ 2.69728 0.0386556 2.72588 ] [ 4.00631 1.34667 3.9586 ] [ 2.7243 2.85873 -0.0805011 ] [ 4.14392 4.06243 1.15826 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.003040574600467e-17 "source-value" -62.604869 } }