{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4405222 0.4791459 -1.1597003 ] [ -0.0917302 0.3594998 -0.0849971 ] [ -0.5913973 -0.5756851 -0.7718908 ] [ -0.6394218 -0.1849409 1.9984538 ] [ 2.4268981 1.0313525 -0.7240868 ] [ 0.2864069 -1.2662742 -0.5913126 ] [ -0.5525521 0.4351318 0.2013709 ] [ -1.278726 -0.2782299 1.1321629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.057943697833818e-10 7.676763589321747e-10 -1.858044707794746e-09 ] [ -1.469679818613081e-10 5.759821747422758e-10 -1.361803664557997e-10 ] [ -9.475229276642439e-10 -9.2234920816291e-10 -1.236705393570609e-09 ] [ -1.024466658789854e-09 -2.963079862097107e-10 3.201875956108919e-09 ] [ 3.88831939688394e-09 1.652408863303632e-09 -1.160114942389885e-09 ] [ 4.588744392158035e-10 -2.028794918762223e-09 -9.47387223304462e-10 ] [ -8.852860563939436e-10 6.971579969266215e-10 3.226317480894547e-10 ] [ -2.048744901609101e-09 -4.457734409875219e-10 1.813924929317128e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 151.75503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.431383611548026e-17 } }