{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.7158699 21.7505316 -15.8987693 ] [ 3.304406 -1.513902 2.8220074 ] [ 81.9397501 67.8663196 -45.1125136 ] [ -6.9161352 0.0802198 -2.8056902 ] [ -10.3092528 -11.6568927 -15.2466331 ] [ -62.5225033 -58.127042 46.2546147 ] [ -1.3536216 1.1272359 11.175998 ] [ -15.858513 -19.5264701 18.8109861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.877089300076391e-08 3.484819350659863e-08 -2.547263668181653e-08 ] [ 5.294242082449404e-09 -2.425538410565868e-09 4.521354317255091e-09 ] [ 1.312819530060191e-07 1.087338314986962e-07 -7.227821519092721e-08 ] [ -1.108087021502492e-08 1.285262891441532e-10 -4.495211280682786e-09 ] [ -1.651724395015907e-08 -1.867640110898517e-08 -2.442779929999098e-08 ] [ -1.001720938864479e-07 -9.312978849593661e-08 7.41080628870129e-08 ] [ -2.168740898797694e-09 1.80603101998596e-09 1.790592285723073e-08 ] [ -2.540813897858524e-08 -3.128485413871964e-08 3.013852239191879e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.5731987 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.373577863577918e-18 } }