{ "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" [ [ 0.31655310000000003 0.14141490000000004 -0.9575818000000003 ] [ 0.7234228000000001 -0.29174590000000006 -0.4195467000000001 ] [ -0.10338480000000003 -0.21739280000000005 0.8782315000000003 ] [ -0.20538660000000006 0.8065826000000003 0.042484900000000006 ] [ -1.7922557000000003 -2.8024724000000005 -2.3075291000000004 ] [ 1.9718107000000005 2.7660172000000003 2.2010236000000005 ] [ 0.26986830000000006 -0.48583340000000014 0.09265900000000002 ] [ -1.1806277000000003 0.08342980000000001 0.47025860000000014 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.071739760617645e-10 2.2657164661277e-10 -1.534215172463582e-09 ] [ 1.159051097113674e-09 -4.674284601942549e-10 -6.721879140737915e-10 ] [ -1.656407095060839e-10 -3.483016616902503e-10 1.407081976950116e-09 ] [ -3.290656087456014e-10 1.292287784464078e-09 6.806831351702593e-11 ] [ -2.871510181035539e-09 -4.490055759717267e-09 -3.697069175835666e-09 ] [ 3.159189004183283e-09 4.431648090570678e-09 3.526428553749052e-09 ] [ 4.323766809550407e-10 -7.783909150837749e-10 1.484560835067072e-10 ] [ -1.891574098808877e-09 1.336692750380199e-10 7.534373346501392e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.696372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.879406928657974e-18 } }