{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7284995 -1.2509175 -4.0687184 ] [ -0.3796044 1.3051729 0.4070047 ] [ 0.0132899 0.5111383 0.9041153 ] [ 0.3165067 -0.7200683 2.0562778 ] [ -1.8876985 -0.040944 1.4456898 ] [ 0.1843622 0.9592109 0.3815538 ] [ 0.9836713 2.0524884 -1.6545575 ] [ 0.0409732 -2.8160806 0.5286344 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16718486716449e-09 -2.004190773049584e-09 -6.518805497098783e-09 ] [ -6.081932948328115e-10 2.091117506481737e-09 6.520934148957178e-10 ] [ 2.129276707276992e-11 8.189338342554567e-10 1.448552396167578e-09 ] [ 5.070996350665594e-10 -1.153676595639201e-09 3.294520217030059e-09 ] [ -3.024426403819229e-09 -6.559951956203521e-11 2.316250398489028e-09 ] [ 2.953808065992538e-10 1.536825278396527e-09 6.11316577937399e-10 ] [ 1.576015159411943e-09 3.288448928943199e-09 -2.650893344269296e-09 ] [ 6.564630311936256e-11 -4.511858499608436e-09 8.469656766306354e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -215.08641 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.446064175538034e-17 } }