{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5493736000000001 0.13938270000000003 -1.0171547000000003 ] [ 0.8668693000000002 -0.34716980000000003 -0.6925939000000001 ] [ -0.21689200000000006 -0.011065000000000002 1.2005853000000002 ] [ -0.14987010000000003 0.6805735000000002 0.025293600000000006 ] [ -1.7689160000000004 -3.129160000000001 -2.4556301000000005 ] [ 2.0216044000000006 2.8676613000000004 2.3299856000000005 ] [ 0.3828918000000001 -0.30225320000000006 0.10162310000000002 ] [ -1.6850610000000004 0.10203050000000002 0.5078910000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.801935380047311e-10 2.233157032839802e-10 -1.629661480076838e-09 ] [ 1.388877725749262e-09 -5.56227337007812e-10 -1.109657754288693e-09 ] [ -3.474992916385537e-10 -1.772808430915201e-11 1.923549698936155e-09 ] [ -2.401183703769582e-10 1.090398950436029e-09 4.05248145758669e-11 ] [ -2.834115859359054e-09 -5.013466994742529e-09 -3.934353135552767e-09 ] [ 3.238967306186413e-09 4.594499891232935e-09 3.733048455120662e-09 ] [ 6.134602902560296e-10 -4.842630106019867e-10 1.628181549532205e-10 ] [ -2.699765338821869e-09 1.634708817085344e-10 8.137310861147329e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.80851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494108485648301e-18 } }