{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8361882 -3.1569149 7.9224531 ] [ -0.6769977 6.3052162 -7.0860321 ] [ -0.7533173 0.2137599 1.8251831 ] [ -7.4859479 5.1421165 -10.6720769 ] [ 0.9958268 -3.5546292 3.0738258 ] [ 0.6454593 1.6336048 -3.4975756 ] [ 3.5401324 -11.9500763 9.67568 ] [ 6.5710328 5.3669229 -1.2414574 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.544074426228835e-09 -5.05793524663517e-09 1.269316913620449e-08 ] [ -1.084669887275372e-09 1.010206998472942e-08 -1.135307496485833e-08 ] [ -1.20694736610418e-09 3.42481114244546e-10 2.924265691499268e-09 ] [ -1.199381070990686e-08 8.238578837729923e-09 -1.709855210455974e-08 ] [ 1.595490417326078e-09 -5.695143799853007e-09 4.924811833171856e-09 ] [ 1.034139800137933e-09 2.61732341818666e-09 -5.603733855800532e-09 ] [ 5.671917365816595e-09 -1.914613286463617e-08 1.550214828634214e-08 ] [ 1.052795512666996e-08 8.598758396016135e-09 -1.989034021999154e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.081162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.338880462049737e-18 } }