{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] "source-value" [ 5.4 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] "source-value" [ 0.386566 5.8038 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] "source-value" [ -0.433064 -0.220286 5.20849 ] } "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" [ [ 2.282840049197823e-09 -1.183943955053382e-09 1.008302795537355e-08 ] [ -3.575017443692728e-09 -7.106659319948201e-09 -1.623960535115876e-08 ] [ 1.089048283501162e-08 -1.690454549885304e-08 1.90843526137028e-08 ] [ 5.924557066920427e-09 2.585485925684095e-09 5.512819945629858e-09 ] [ 6.376865305691208e-09 -6.245607146249829e-09 7.96562465859798e-09 ] [ -1.155380670693084e-09 1.94216699126985e-09 -5.781363332524739e-09 ] [ -2.787032214350617e-09 -1.57686223019136e-11 -5.644310580898913e-09 ] [ -1.795731492808465e-08 2.692887146523476e-08 -1.498054606893943e-08 ] ] "source-value" [ [ 1.4248367000000002 -0.7389597000000001 6.293331100000001 ] [ -2.2313504000000006 -4.435627900000001 -10.135964500000002 ] [ 6.797304800000002 -10.550987500000002 11.911516100000002 ] [ 3.6978177000000008 1.6137334000000005 3.440831600000001 ] [ 3.9801263000000007 -3.898201400000001 4.971751900000001 ] [ -0.7211319000000002 1.2122053000000002 -3.608443200000001 ] [ -1.7395287000000004 -0.009842000000000002 -3.522901600000001 ] [ -11.208074500000002 16.807679700000005 -9.350121500000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.314329048116644e-18 "source-value" -20.686415 } }