{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.21631e-10 0.0 0.0 ] "source-value" [ 5.21631 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] "source-value" [ 0.340777 5.491 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] "source-value" [ 0.0764414 0.261433 5.31631 ] } "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" [ [ 6.816980419615881e-08 -8.427260256958539e-08 2.387836947669435e-08 ] [ -1.000067591684676e-09 -8.101972612728316e-09 1.504465796750905e-09 ] [ 3.823580246167275e-09 -7.45671264133797e-09 6.469780014025938e-09 ] [ 4.800035439467588e-09 3.80557162073182e-10 -3.27046385550407e-09 ] [ -4.051719141950511e-09 6.289056734246967e-09 2.058074055636695e-09 ] [ -5.371953677189437e-08 7.147289733985143e-08 -2.240442017782216e-08 ] [ -1.045379101176378e-08 1.568486371253141e-08 1.723358050602518e-09 ] [ -7.568305524717988e-09 6.003912874948652e-09 -9.959163520601836e-09 ] ] "source-value" [ [ 42.5482455 -52.5988218 14.9037061 ] [ -0.6241931 -5.0568536 0.9390137 ] [ 2.3864911 -4.654114 4.0381191 ] [ 2.9959465 0.2375251 -2.041263 ] [ -2.5288842 3.9253205 1.2845488 ] [ -33.5290979 44.6098741 -13.9837393 ] [ -6.5247432 9.789722 1.0756355 ] [ -4.7237648 3.7473477 -6.216021 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.741740463843605e-18 "source-value" -10.871089 } }