{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.16142149999999997 2.6872339999999997 -1.2385853999999996 ] [ 0.46184949999999997 3.0680354999999997 -0.7368577999999997 ] [ 0.26968479999999995 -1.8058727999999997 -1.1065930999999996 ] [ -0.6370676999999999 -2.2137060999999996 -0.3249717999999998 ] [ -5.141138499999999 8.415475099999998 5.605998399999997 ] [ 0.5377261999999999 -1.5345260999999997 2.314577299999999 ] [ -0.32293579999999994 -1.0412550999999999 0.1813809999999999 ] [ 4.993302999999999 -7.575384399999999 -4.694948599999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.586257533944672e-10 4.305423489418867e-09 -1.984432570744216e-09 ] [ 7.399644712281696e-10 4.915534749884438e-09 -1.180576340014122e-09 ] [ 4.320826815451238e-10 -2.893327180298634e-09 -1.772957593558596e-09 ] [ -1.020694974806828e-09 -3.546748158742346e-09 -5.206622203792931e-10 ] [ -8.23701190899478e-09 1.348307745814454e-08 8.981799572722202e-09 ] [ 8.615323460316249e-10 -2.458581841427402e-09 3.708361637094386e-09 ] [ -5.174001887793446e-10 -1.668274577508766e-09 2.906043976573247e-10 ] [ 8.0001533271705e-09 -1.213710377925303e-08 -7.522136882777688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.826884 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.419664269931359e-18 } }