{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5612e-10 0.0 0.0 ] "source-value" [ 5.5612 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] "source-value" [ -0.0917257 5.43287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] "source-value" [ -0.0143429 0.0662566 5.45634 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.754174635030201e-10 -1.981346137701907e-10 3.545171456729818e-10 ] [ 1.736622470846122e-09 1.629347613676823e-09 -3.231620525291734e-09 ] [ -4.174914828200699e-09 7.776018430980308e-10 -2.448564552541175e-09 ] [ 6.58877190925847e-10 2.443668781440997e-09 6.934028153627904e-11 ] [ 3.624652234534464e-10 4.268621492439092e-10 2.283431092153236e-09 ] [ -9.772178293718131e-10 -3.883706570174996e-10 -2.086376826078451e-10 ] [ 1.409539876104085e-09 -2.836158794768235e-09 3.362194074663043e-09 ] [ 1.960045359746033e-09 -1.854816161686172e-09 -1.806598335847872e-10 ] ] "source-value" [ [ -0.6088076999999998 -0.12366589999999998 0.22127219999999997 ] [ 1.0839144999999997 1.0169587999999998 -2.0170188999999996 ] [ -2.6057768999999995 0.48534089999999996 -1.5282737999999998 ] [ 0.41123879999999996 1.5252180999999998 0.04327879999999999 ] [ 0.22623299999999996 0.26642639999999995 1.4252055999999997 ] [ -0.6099313999999999 -0.24240189999999998 -0.13022139999999996 ] [ 0.8797655999999999 -1.7701910999999997 2.0985164999999997 ] [ 1.2233640999999997 -1.1576851999999997 -0.11275899999999998 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.607755459167681e-18 "source-value" -41.242366 } }