{ "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" [ [ -1.7149366 -1.9320817 7.1028928 ] [ -2.6626066 4.8624313 -6.2227693 ] [ -0.6532736 -0.1843906 2.5025065 ] [ -9.0198047 5.9064801 -11.8237984 ] [ 1.2078924 -3.7182011 3.9369713 ] [ 0.7393625 1.3341266 -3.853672 ] [ 5.9162759 -11.2766919 8.96305 ] [ 6.1870906 5.0083273 -0.605181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.747631349311404e-09 -3.095536154718997e-09 1.138008887796684e-08 ] [ -4.265966080054185e-09 7.790473813290243e-09 -9.969975571232536e-09 ] [ -1.046659697529062e-09 -2.954263108492403e-10 4.00945744073312e-09 ] [ -1.445132033358338e-08 9.463224405405981e-09 -1.894381352160659e-08 ] [ 1.935256979666181e-09 -5.957214922933097e-09 6.307723425588604e-09 ] [ 1.184589321555825e-09 2.137506465317864e-09 -6.174263233500048e-09 ] [ 9.478919007277319e-09 -1.806725227099706e-08 1.43603892793737e-08 ] [ 9.91281199176104e-09 8.024224975484309e-09 -9.696068575407538e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.213323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.199837361009478e-18 } }