{ "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" [ 5.42356 0 0 ] "si-unit" "m" "si-value" [ 5.42356e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0141122 5.36968 0 ] "si-unit" "m" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.125956 0.0899535 5.38067 ] "si-unit" "m" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3425606 -0.3606429 0.5012645 ] [ -0.6041274 2.409349 0.5519946 ] [ 0.2811058 -0.527463 -1.1371912 ] [ -0.7883179 -1.0068281 -1.4297604 ] [ 0.7336759 -0.7612389 -0.4933033 ] [ -1.4181509 2.6256459 -1.1359239 ] [ 0.5534561 -1.1576802 0.237695 ] [ -0.1002021 -1.2211418 2.9052247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.151019205327221e-09 -5.778136228375123e-10 8.031142627370017e-10 ] [ -9.679187962646899e-10 3.86020263914786e-09 8.843928429278477e-10 ] [ 4.503811407312807e-10 -8.450888869370305e-10 -1.821981154019497e-09 ] [ -1.263024509138152e-09 -1.613116442984484e-09 -2.290728686225656e-09 ] [ 1.175478374224399e-09 -1.219639168423509e-09 -7.903590142234888e-10 ] [ -2.272128216746479e-09 4.206748475479375e-09 -1.819950715587957e-09 ] [ 8.867344240591468e-10 -1.854808150803068e-09 3.80829371881056e-10 ] [ -1.605414619750637e-10 -1.95648484264163e-09 4.654683092510694e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.359193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.626473207975501e-18 } }