{ "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" [ [ 1.0330604000000003 1.4561946000000001 -2.2326368000000003 ] [ 2.0496493000000005 -1.6549104000000003 -1.2045845000000002 ] [ -0.9467039000000003 0.20829840000000005 2.6350435000000005 ] [ -0.20435870000000006 1.3186113000000002 -0.5202032000000001 ] [ -9.842598200000001 -9.860913100000001 -9.687670200000001 ] [ 10.029416400000002 9.600398500000002 9.680741000000001 ] [ 0.9489533000000002 -0.6254862000000001 0.33552110000000007 ] [ -3.0674186000000008 -0.4421930000000001 0.9937891000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.655145234390694e-09 2.333080962676976e-09 -3.577078513168531e-09 ] [ 3.283900216354457e-09 -2.651458774243594e-09 -1.929957139578573e-09 ] [ -1.516786867896673e-09 3.337308293795857e-10 4.221805125273579e-09 ] [ -3.274187340946159e-10 2.112648214188364e-09 -8.334574119720289e-10 ] [ -1.576958085389046e-08 -1.579892455872451e-08 -1.552135883233811e-08 ] [ 1.60688966087364e-08 1.538153415378865e-08 1.551025703000579e-08 ] [ 1.520390804017192e-09 -1.002139374529451e-09 5.375640666339775e-10 ] [ -4.914546407616992e-09 -7.084712923183622e-10 1.592225675143889e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.622801 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.547184276583183e-18 } }