{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.56756e-10 0.0 0.0 ] "source-value" [ 5.56756 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.033250000000001e-11 5.387920000000001e-10 0.0 ] "source-value" [ 0.603325 5.38792 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.02741e-11 -4.50618e-11 5.48706e-10 ] "source-value" [ -0.402741 -0.450618 5.48706 ] } "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" [ [ 7.035848015969301e-08 -1.494216075295768e-07 1.438345057090591e-07 ] [ 1.928990370305067e-09 -3.515247764200798e-09 1.008801216662319e-09 ] [ -2.489974089047047e-09 3.171428031389574e-09 3.550125547058993e-09 ] [ -1.618713630987483e-08 1.764953856162325e-08 -1.740370202288666e-08 ] [ -3.646725614100421e-08 4.474173991702391e-08 5.213099227087246e-08 ] [ -7.452440405335076e-08 1.506993662957905e-07 -1.486262260120824e-07 ] [ -1.692038734062652e-08 -5.186195140813682e-08 -2.125522198627342e-08 ] [ 7.43016874039053e-08 -1.146326594369514e-08 -1.323927472241039e-08 ] ] "source-value" [ [ 43.91430960000001 -93.26163270000002 89.77443800000002 ] [ 1.2039811000000002 -2.1940451000000003 0.6296442000000001 ] [ -1.5541196000000004 1.9794497000000004 2.2158141000000002 ] [ -10.103215900000002 11.015975600000003 -10.862536500000001 ] [ -22.761071200000004 27.925597800000006 32.53760640000001 ] [ -46.51447480000001 94.05914700000001 -92.76519460000002 ] [ -10.560875200000002 -32.36968430000001 -13.266466200000004 ] [ 46.37546600000001 -7.1548079000000016 -8.263305400000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.36492e-11 6.38405e-12 1.89929e-11 ] [ 1.53887e-10 1.35333e-10 1.11771e-10 ] [ 3.18438e-11 2.15889e-10 3.01891e-10 ] [ 1.68585e-10 3.81794e-10 4.45016e-10 ] [ 2.72641e-10 -3.20403e-11 2.65546e-10 ] [ 4.33601e-10 7.481900000000001e-11 4.56114e-10 ] [ 3.14234e-10 2.88247e-10 7.698180000000001e-12 ] [ 4.12798e-10 3.93896e-10 1.35009e-10 ] ] "source-value" [ [ -0.336492 0.0638405 0.189929 ] [ 1.53887 1.35333 1.11771 ] [ 0.318438 2.15889 3.01891 ] [ 1.68585 3.81794 4.45016 ] [ 2.72641 -0.320403 2.65546 ] [ 4.33601 0.74819 4.56114 ] [ 3.14234 2.88247 0.0769818 ] [ 4.12798 3.93896 1.35009 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.870435461127027e-18 "source-value" 11.67434 } }