{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3172425 0.0427058 -2.7941627 ] [ 0.7880624 1.7729403 -0.5291651 ] [ 0.7741204 -0.1136715 0.6322733 ] [ 0.8856296 0.009527 0.6779891 ] [ 0.0672669 -0.4331724 2.6861089 ] [ -0.3640608 -1.8036117 -1.3019693 ] [ -2.4952389 0.4709985 -0.262401 ] [ -0.9730221 0.0542839 0.8913267 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.110455137424144e-09 6.842223433256065e-11 -4.476742152651404e-09 ] [ 1.262615153011538e-09 2.840563498734138e-09 -8.478159517632942e-10 ] [ 1.240277606564344e-09 -1.821218197512672e-10 1.013013499216065e-09 ] [ 1.418935039808456e-09 1.52639366663616e-11 1.086258285177233e-09 ] [ 1.077734545336915e-10 -6.940186920558259e-10 4.303620880502804e-09 ] [ -5.832897023097448e-10 -2.889704498741344e-09 -2.085984773459342e-09 ] [ -3.997813428890709e-09 7.546227851318688e-10 -4.204127474745408e-10 ] [ -1.55895326014172e-09 8.697239546584512e-11 1.428062800234815e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.152176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.593305428224686e-18 } }