{ "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" [ [ 0.3562521 0.4543473 3.2994095 ] [ -2.8537946 3.5193141 -2.97426 ] [ -0.3837859 0.3844628 -0.5880276 ] [ -6.7034118 5.8949449 -9.0240222 ] [ 1.3362162 -3.3102078 2.5410732 ] [ -1.2437608 0.0636591 -1.6820529 ] [ 7.4045296 -8.3407178 5.2492689 ] [ 2.0877551 1.3341975 3.1786111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.707787904334313e-10 7.279446277809881e-10 5.286236806897623e-09 ] [ -4.572283026355376e-09 5.638562818726739e-09 -4.76528987544084e-09 ] [ -6.148928014386605e-10 6.15977314802215e-10 -9.421240808670983e-10 ] [ -1.074004975403988e-08 9.444742977497465e-09 -1.445807751353727e-08 ] [ 2.14085437361227e-09 -5.303537590844545e-09 4.071248106323608e-09 ] [ -1.992724492045147e-09 1.019931225614694e-10 -2.694945853531938e-09 ] [ 1.186336431088137e-08 -1.336330316994789e-08 8.410255977162881e-09 ] [ 3.344952438734333e-09 2.137620059641215e-09 5.092696432993037e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.705946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637893613406577e-18 } }