{ "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" [ [ 16.8317441 -19.5273157 7.8587024 ] [ 0.0956625 -2.45768 -0.0274457 ] [ -0.1050219 -2.4472911 1.5967716 ] [ 2.5458775 0.0281521 -2.8565733 ] [ -1.2898764 1.4734657 1.6376599 ] [ -11.8196594 16.7937987 -9.0522417 ] [ -2.8343566 5.2589591 3.2888216 ] [ -3.4243698 0.8779112 -2.4456948 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.696742688430834e-08 -3.128620868152079e-08 1.259102925510485e-08 ] [ 1.5326822098728e-10 -3.937637437407744e-09 -4.397285888149056e-11 ] [ -1.682636328519955e-10 -3.920992584711916e-09 2.55831012627741e-09 ] [ 4.078945409920752e-09 4.510463644642368e-11 -4.576734956861505e-09 ] [ -2.066609811801669e-09 2.360752296090706e-09 2.623820404601666e-09 ] [ -1.893718195649896e-08 2.690663165156144e-08 -1.450329001757085e-08 ] [ -4.541139879530177e-09 8.42578131976341e-09 5.269273077502049e-09 ] [ -5.486445234533571e-09 1.406568799778473e-09 -3.918435030172132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.381968 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.663374640749374e-18 } }