{ "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" [ [ 0.6853873000000001 0.26049430000000007 -1.0985718000000002 ] [ 0.9533028000000002 -0.4431109000000001 -0.7281183000000001 ] [ -0.3805848000000001 0.08841490000000002 1.2749326000000003 ] [ -0.13926380000000002 0.7082495000000001 -0.06641440000000001 ] [ -2.7074042000000005 -3.592126000000001 -3.078040000000001 ] [ 2.8816116000000003 3.229296300000001 3.037048700000001 ] [ 0.4466972000000001 -0.3270988000000001 0.12808630000000001 ] [ -1.7397462000000004 0.07588070000000001 0.5310770000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.098111508253236e-09 4.173578773116616e-10 -1.760106054230174e-09 ] [ 1.527359458703179e-09 -7.099419244016468e-10 -1.166574117436641e-09 ] [ -6.09764068791844e-10 1.4165628571037e-10 2.042667204815759e-09 ] [ -2.231252044837671e-10 1.13474079059329e-09 -1.064075989644596e-10 ] [ -4.337739712295727e-09 -5.755220296167822e-09 -4.931563725887234e-09 ] [ 4.616850735746082e-09 5.173903033495945e-09 4.865888423371035e-09 ] [ 7.15687810416822e-10 -5.240700500517352e-10 2.052168753047751e-10 ] [ -2.787380687765642e-09 1.215742835099386e-10 8.508791532446019e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.08065803877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.736623097760636e-18 } }