{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4748242999999999 8.694538099999999 -2.8413378999999996 ] [ -1.5587579999999999 -5.959952699999999 -1.0945200999999998 ] [ -1.2263959999999998 4.439006999999999 -0.9725221999999999 ] [ -0.8755335999999999 -2.5385058999999996 0.13669979999999998 ] [ -1.2360867999999998 1.4636271999999997 -3.1714120999999995 ] [ -4.915342599999999 0.03676279999999999 14.525224799999998 ] [ 16.210581699999995 2.5492621999999994 -7.154904199999999 ] [ -4.923640399999999 -8.684738499999998 0.5727719999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.362929032715405e-09 1.393018578724275e-08 -4.552325192678628e-09 ] [ -2.497405645660572e-09 -9.548896955685208e-09 -1.753614529663343e-09 ] [ -1.964903015231064e-09 7.112073293562437e-09 -1.558152344886274e-09 ] [ -1.402759476201902e-09 -4.067134838251139e-09 2.190172254324731e-10 ] [ -1.980429388555831e-09 2.344989300726844e-09 -5.08116236340487e-09 ] [ -7.875247061824806e-09 5.890049916041518e-11 2.327197577815732e-08 ] [ 2.597221522328798e-08 4.084368330779433e-09 -1.146342032774846e-08 ] [ -7.888541603098412e-09 -1.39144850971002e-08 9.176819150094477e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.925634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.313962165043595e-18 } }