{ "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" [ 5.21631 0 0 ] "si-unit" "m" "si-value" [ 5.21631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.340777 5.491 0 ] "si-unit" "m" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0764414 0.261433 5.31631 ] "si-unit" "m" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 53.6182572 -60.922141 18.6798223 ] [ 0.5315815 -1.2076835 4.5001812 ] [ 7.4209078 -9.2828028 8.1510926 ] [ 11.6992864 -5.6019631 -2.6676881 ] [ -5.563912 2.5028018 -0.5843901 ] [ -37.1711157 48.0646729 -23.2618201 ] [ -18.2942931 19.2278722 3.3436971 ] [ -12.2407122 7.2192434 -8.1608949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.590591884164225e-08 -9.760803080345339e-08 2.992837481633214e-08 ] [ 8.516874583666709e-10 -1.934922284967339e-09 7.210085167406081e-09 ] [ 1.188960508022834e-08 -1.487268974418978e-08 1.305949010529031e-08 ] [ 1.874432330455398e-08 -8.975334383350204e-09 -4.274107540619855e-09 ] [ -8.914369800032207e-09 4.009930563493141e-09 -9.362961633609234e-10 ] [ -5.955469303425055e-08 7.700809584123302e-08 -3.726954462853154e-08 ] [ -2.931068894036743e-08 3.080644756037818e-08 5.357193364793561e-09 ] [ -1.961178307035874e-08 1.156650309063871e-08 -1.307519512130977e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.814127 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.053049486450852e-18 } }