{ "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" [ [ 0.8287330000000003 0.27760730000000006 -1.5221432000000004 ] [ 1.3320472000000003 -0.5865203000000001 -1.0533588000000003 ] [ -0.31876090000000007 0.06346380000000001 1.7601622000000003 ] [ -0.21496380000000007 0.9604756000000002 0.057840000000000016 ] [ -3.511520800000001 -5.127759800000001 -4.244960200000001 ] [ 3.758679100000001 4.831645400000001 4.181434000000001 ] [ 0.4895351000000001 -0.3975293000000001 0.17253950000000004 ] [ -2.3637491000000006 -0.021382800000000004 0.6484866000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.327776637485447e-09 4.44775925823412e-10 -2.438742248549699e-09 ] [ 2.134174881642103e-09 -9.397091122846026e-10 -1.687666842673944e-09 ] [ -5.107112616051668e-10 1.016802166271271e-10 2.820090725655894e-09 ] [ -3.444099746783272e-10 1.538851551168853e-09 9.266989574707203e-11 ] [ -5.626076529212914e-09 -8.215576868638085e-09 -6.801175988666495e-09 ] [ 6.022067779109587e-09 7.741149299875866e-09 6.699395796218229e-09 ] [ 7.843216922809903e-10 -6.369121505429896e-10 2.764387530645217e-10 ] [ -3.787143545457042e-09 -3.425902224724225e-11 1.038990069422081e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.537005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.693655858425271e-18 } }