{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46438e-10 0.0 0.0 ] "source-value" [ 5.46438 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] "source-value" [ 0.0372754 5.43203 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] "source-value" [ 0.17857 -0.0223871 5.50346 ] } "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" [ [ -2.152935729001021e-09 -4.065734662593946e-10 -3.882674447995876e-09 ] [ 3.060939848789599e-09 1.453504403667147e-09 3.165793015996558e-09 ] [ 1.23893466212079e-09 2.134899706345352e-09 -1.705321066640876e-09 ] [ -1.512613986391308e-09 -1.770104116996952e-09 8.818213494514638e-10 ] [ 2.356247456086004e-10 2.783514154926664e-09 -1.528103829961202e-09 ] [ -1.382096993854712e-09 -1.915871908351619e-09 2.787729802051313e-09 ] [ -5.162684112144115e-10 -1.333029373536739e-09 -1.822909294935927e-09 ] [ 1.028415863942463e-09 -9.46339399794459e-10 2.103664632252207e-09 ] ] "source-value" [ [ -1.3437568 -0.2537632 -2.4233748 ] [ 1.9104884 0.9072061 1.9759326 ] [ 0.7732822 1.3324996 -1.0643777 ] [ -0.9440994 -1.1048121 0.5503896 ] [ 0.1470654 1.7373329 -0.9537674 ] [ -0.8626371 -1.1957932 1.7399641 ] [ -0.3222294 -0.8320115 -1.1377705 ] [ 0.6418867 -0.5906586 1.3130042 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.813958654568942e-18 "source-value" -36.287876 } }